N,N'-bis(2-mercaptoethyl)isophthalamide
1-N,3-N-bis(2-sulfanylethyl)benzene-1,3-dicarboxamide
Molecular Identity
N,N'-bis(2-mercaptoethyl)isophthalamide
1-N,3-N-bis(2-sulfanylethyl)benzene-1,3-dicarboxamide
PubChem CID: 21133161
2D Structure
Properties
C12H16N2O2S2
Molecular Formula
284.40
Molecular Weight
g/mol
284.0653
Exact Mass
Da
1.1
XLogP
Drug-like (Lipinski: < 5)
60.2
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
4
H-Bond Acceptors
261
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC(=C1)C(=O)NCCS)C(=O)NCCSIsomeric SMILES
SMILES: C1=CC(=CC(=C1)C(=O)NCCS)C(=O)NCCSSynonyms(20)
n,n'-bis(2-mercaptoethyl)isophthalamideRefChem:590746Emeramide351994-94-0BDTH2Emeramide [INN]N1,N3-Bis(2-mercaptoethyl)isophthalamideEmeramide (BDTH2)UNII-4U7K5X4ANS4U7K5X4ANSMFCD281445501-N,3-N-bis(2-sulfanylethyl)benzene-1,3-dicarboxamide1,3-Benzenedicarboxamide, N1,N3-bis(2-mercaptoethyl)-N1,N3-BIS(2-SULFANYLETHYL)BENZENE-1,3-DICARBOXAMIDENBMI
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to N,N'-bis(2-mercaptoethyl)isophthalamide
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