2-oxo-N-(4-sulfanylphenyl)-1,3-dihydroindole-6-carboxamide

C15H12N2O2S — CID 162521066

IUPAC2-oxo-N-(4-sulfanylphenyl)-1,3-dihydroindole-6-carboxamide
SMILESO=C1Cc2ccc(C(=O)Nc3ccc(S)cc3)cc2N1
InChIInChI=1S/C15H12N2O2S/c18-14-8-9-1-2-10(7-13(9)17-14)15(19)16-11-3-5-12(20)6-4-11/h1-7,20H,8H2,(H,16,19)(H,17,18)
InChIKeyFUVMTXKMRQKTIC-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.72
Rot. Bonds2

About 2-oxo-N-(4-sulfanylphenyl)-1,3-dihydroindole-6-carboxamide

2-oxo-N-(4-sulfanylphenyl)-1,3-dihydroindole-6-carboxamide (PubChem CID 162521066) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-oxo-N-(4-sulfanylphenyl)-1,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(4-sulfanylphenyl)-1,3-dihydroindole-6-carboxamide
PubChem CID162521066
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-oxo-N-(4-sulfanylphenyl)-1,3-dihydroindole-6-carboxamide
SMILESO=C1Cc2ccc(C(=O)Nc3ccc(S)cc3)cc2N1
InChIInChI=1S/C15H12N2O2S/c18-14-8-9-1-2-10(7-13(9)17-14)15(19)16-11-3-5-12(20)6-4-11/h1-7,20H,8H2,(H,16,19)(H,17,18)
InChIKeyFUVMTXKMRQKTIC-UHFFFAOYSA-N
XLogP2.72
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethyl-3-pyridinyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712568
2-oxo-1,3-dihydroindole-6-carbonyl chloride
CID 141361971
6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen
CID 162521220
N-(2-cyanophenyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711879
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712841
2-oxo-N-(1,2,4-triazin-3-yl)-1,3-dihydroindole-6-carboxamide
CID 102712844
N-[(1-ethylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737434
N-(3,4-difluorophenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700475
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797937
N-(6-fluoro-2-pyridinyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712837
N-[1-(2-methylpropyl)pyrazol-4-yl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 100655816
N-[(1-methylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737430

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4-sulfanylphenyl)-1,3-dihydroindole-6-carboxamide?
The IUPAC name of 2-oxo-N-(4-sulfanylphenyl)-1,3-dihydroindole-6-carboxamide (CID 162521066) is 2-oxo-N-(4-sulfanylphenyl)-1,3-dihydroindole-6-carboxamide.
What is the SMILES notation for 2-oxo-N-(4-sulfanylphenyl)-1,3-dihydroindole-6-carboxamide?
The canonical SMILES for 2-oxo-N-(4-sulfanylphenyl)-1,3-dihydroindole-6-carboxamide is O=C1Cc2ccc(C(=O)Nc3ccc(S)cc3)cc2N1.
What is the InChIKey of 2-oxo-N-(4-sulfanylphenyl)-1,3-dihydroindole-6-carboxamide?
The InChIKey is FUVMTXKMRQKTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-14-8-9-1-2-10(7-13(9)17-14)15(19)16-11-3-5-12(20)6-4-11/h1-7,20H,8H2,(H,16,19)(H,17,18).
What are the key properties of 2-oxo-N-(4-sulfanylphenyl)-1,3-dihydroindole-6-carboxamide?
2-oxo-N-(4-sulfanylphenyl)-1,3-dihydroindole-6-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4-sulfanylphenyl)-1,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 162521066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).