N-(2-sulfanylphenyl)-2,3-dihydroindole-1-carboxamide

C15H14N2OS — CID 108886503

IUPACN-(2-sulfanylphenyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1ccccc1S)N1CCc2ccccc21
InChIInChI=1S/C15H14N2OS/c18-15(16-12-6-2-4-8-14(12)19)17-10-9-11-5-1-3-7-13(11)17/h1-8,19H,9-10H2,(H,16,18)
InChIKeyKXPWAQDAUXVLQD-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.57
Rot. Bonds1

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

N-(2-sulfanylphenyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 108886503) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(2-sulfanylphenyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(2-sulfanylphenyl)-2,3-dihydroindole-1-carboxamide
PubChem CID108886503
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-(2-sulfanylphenyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1ccccc1S)N1CCc2ccccc21
InChIInChI=1S/C15H14N2OS/c18-15(16-12-6-2-4-8-14(12)19)17-10-9-11-5-1-3-7-13(11)17/h1-8,19H,9-10H2,(H,16,18)
InChIKeyKXPWAQDAUXVLQD-UHFFFAOYSA-N
XLogP3.57
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 6468631
N-(2-ethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6468642
N-(2-cyanophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991226
2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid
CID 21186078
N-(4-aminophenyl)-2,3-dihydroindole-1-carboxamide
CID 43469027
CID 144672697
CID 144672697
N-(2,6-diethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108991191
N-(3,4-dimethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6470011
N-(3,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991230
N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
CID 2897905
N-[5-ethoxy-3-methylsulfanyl-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 67695293
6-amino-N-(2-chlorophenyl)-2,3-dihydroindole-1-carboxamide
CID 43544036

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfanylphenyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(2-sulfanylphenyl)-2,3-dihydroindole-1-carboxamide (CID 108886503) is N-(2-sulfanylphenyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(2-sulfanylphenyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(2-sulfanylphenyl)-2,3-dihydroindole-1-carboxamide is O=C(Nc1ccccc1S)N1CCc2ccccc21.
What is the InChIKey of N-(2-sulfanylphenyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is KXPWAQDAUXVLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c18-15(16-12-6-2-4-8-14(12)19)17-10-9-11-5-1-3-7-13(11)17/h1-8,19H,9-10H2,(H,16,18).
What are the key properties of N-(2-sulfanylphenyl)-2,3-dihydroindole-1-carboxamide?
N-(2-sulfanylphenyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 3.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfanylphenyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 108886503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).