1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide

C23H26N2O3S — CID 23608824

IUPAC1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H26N2O3S/c26-23(24-15-13-18-7-3-1-4-8-18)20-11-12-22-19(17-20)14-16-25(22)29(27,28)21-9-5-2-6-10-21/h2,5-7,9-12,17H,1,3-4,8,13-16H2,(H,24,26)
InChIKeyUKYNEVODGQJSHT-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.06
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide

1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 23608824) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide
PubChem CID23608824
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H26N2O3S/c26-23(24-15-13-18-7-3-1-4-8-18)20-11-12-22-19(17-20)14-16-25(22)29(27,28)21-9-5-2-6-10-21/h2,5-7,9-12,17H,1,3-4,8,13-16H2,(H,24,26)
InChIKeyUKYNEVODGQJSHT-UHFFFAOYSA-N
XLogP4.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 18108486
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide
CID 23608848
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109251077
N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 30500746
N-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 23608841
3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 106173095
N-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 23608850
1-(4-chlorophenyl)sulfonyl-N-pentyl-2,3-dihydroindole-5-carboxamide
CID 23608866
4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 109059643
N-[2-(cyclohexen-1-yl)ethyl]-3-phenacylsulfanylbenzamide
CID 84557098
1-methylsulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 100801339

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide (CID 23608824) is 1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide is O=C(NCCC1=CCCCC1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is UKYNEVODGQJSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c26-23(24-15-13-18-7-3-1-4-8-18)20-11-12-22-19(17-20)14-16-25(22)29(27,28)21-9-5-2-6-10-21/h2,5-7,9-12,17H,1,3-4,8,13-16H2,(H,24,26).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide?
1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 23608824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).