N-(2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl)indole-3-carboxamide

HCID 41332

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Basic information

CAS: 55142-77-3
Standard SMILES: CSC(O)(CNC(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIKey: PJYCVBMPEOJLKW-UHFFFAOYSA-N
Molecular formula: C20H19N3O2S
Average molar mass: 365.5 g/mol
Monoisotopic mass: 365.11979803

Overview

N-[2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl]indole-3-carboxamide is a member of indoles, a monocarboxylic acid amide and a monothiohemiketal.

Names & identifiers

Preferred name: N-(2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl)indole-3-carboxamide
IUPAC: N-[2-hydroxy-2-(1H-indol-3-yl)-2-methylsulfanylethyl]-1H-indole-3-carboxamide

Names & synonyms

N-[2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl]indole-3-carboxamide(Indolyl-3') carbothioamido-1 (indolyl-3')-methylolthio-2 ethaneCHEBI:59803N-[2-hydroxy-2-(1H-indol-3-yl)-2-(methylsulfanyl)ethyl]-1H-indole-3-carboxamideN-(2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl)indole-3-carboxamideN-(2-hydroxy-2-(1H-indol-3-yl)-2-(methylsulfanyl)ethyl)-1H-indole-3-carboxamideRefChem:109104355142-77-3INDOLE-3-CARBOXAMIDE, N-(2-(HYDROXY(3-INDOLYL)METHYLTHIO)ETHYL)-(Indolyl-3') carbothioamido-1 (indolyl-3')-methylolthio-2 ethane [French]N-[2-hydroxy-2-(1H-indol-3-yl)-2-methylsulfanylethyl]-1H-indole-3-carboxamideN-(2-(hydroxy(3-indolyl)methylthio)ethyl)indole-3-carboxamide

Show more names

DTXSID80970494Q27126900N-[2-Hydroxy-2-(1H-indol-3-yl)-2-(methylsulfanyl)ethyl]-1H-indole-3-carboximidic acid

Database identifiers

CAS: 55142-77-3
PubChem CID: 41332
DTXSID: DTXSID80970494
ChEBI: CHEBI:59803

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 106 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 26
Formal charge: 0
Complexity: 519

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Compound notes

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