3-cyclopentylidene-1-methyl-2-oxo-N-propylindole-5-sulfonamide

C17H22N2O3S — CID 50760140

IUPAC3-cyclopentylidene-1-methyl-2-oxo-N-propylindole-5-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc2c(c1)C(=C1CCCC1)C(=O)N2C
InChIInChI=1S/C17H22N2O3S/c1-3-10-18-23(21,22)13-8-9-15-14(11-13)16(17(20)19(15)2)12-6-4-5-7-12/h8-9,11,18H,3-7,10H2,1-2H3
InChIKeyQEBAOYKOGDIGJG-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.68
Rot. Bonds4

About 3-cyclopentylidene-1-methyl-2-oxo-N-propylindole-5-sulfonamide

3-cyclopentylidene-1-methyl-2-oxo-N-propylindole-5-sulfonamide (PubChem CID 50760140) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-cyclopentylidene-1-methyl-2-oxo-N-propylindole-5-sulfonamide.

Molecular Properties

Compound Name3-cyclopentylidene-1-methyl-2-oxo-N-propylindole-5-sulfonamide
PubChem CID50760140
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name3-cyclopentylidene-1-methyl-2-oxo-N-propylindole-5-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc2c(c1)C(=C1CCCC1)C(=O)N2C
InChIInChI=1S/C17H22N2O3S/c1-3-10-18-23(21,22)13-8-9-15-14(11-13)16(17(20)19(15)2)12-6-4-5-7-12/h8-9,11,18H,3-7,10H2,1-2H3
InChIKeyQEBAOYKOGDIGJG-UHFFFAOYSA-N
XLogP2.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentylidene-1-methyl-2-oxo-N-[(2R)-2-phenylpropyl]indole-5-sulfonamide
CID 94069346
3-cyclopentylidene-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methyl-2-oxoindole-5-sulfonamide
CID 92501377
3-cyclopentylidene-1-methyl-N-(4-methylphenyl)-2-oxoindole-5-sulfonamide
CID 50759853
3-cyclopentylidene-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)indole-5-sulfonamide
CID 50760117
3-cyclopentylidene-N-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-5-sulfonamide
CID 50760100
N-(1-benzylpiperidin-4-yl)-3-cyclopentylidene-1-methyl-2-oxoindole-5-sulfonamide
CID 50760062
3-cyclopentylidene-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylindol-2-one
CID 50759973
3-cyclopentylidene-1-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylindol-2-one
CID 50760120
1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide
CID 3158003
2-methyl-N-[3-(methylamino)propyl]-1,3-dioxoisoindole-5-sulfonamide
CID 119965032
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113081978
3-cyclopentylidene-N-(furan-2-ylmethyl)-1-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]indole-5-sulfonamide
CID 94069364

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylidene-1-methyl-2-oxo-N-propylindole-5-sulfonamide?
The IUPAC name of 3-cyclopentylidene-1-methyl-2-oxo-N-propylindole-5-sulfonamide (CID 50760140) is 3-cyclopentylidene-1-methyl-2-oxo-N-propylindole-5-sulfonamide.
What is the SMILES notation for 3-cyclopentylidene-1-methyl-2-oxo-N-propylindole-5-sulfonamide?
The canonical SMILES for 3-cyclopentylidene-1-methyl-2-oxo-N-propylindole-5-sulfonamide is CCCNS(=O)(=O)c1ccc2c(c1)C(=C1CCCC1)C(=O)N2C.
What is the InChIKey of 3-cyclopentylidene-1-methyl-2-oxo-N-propylindole-5-sulfonamide?
The InChIKey is QEBAOYKOGDIGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-3-10-18-23(21,22)13-8-9-15-14(11-13)16(17(20)19(15)2)12-6-4-5-7-12/h8-9,11,18H,3-7,10H2,1-2H3.
What are the key properties of 3-cyclopentylidene-1-methyl-2-oxo-N-propylindole-5-sulfonamide?
3-cyclopentylidene-1-methyl-2-oxo-N-propylindole-5-sulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylidene-1-methyl-2-oxo-N-propylindole-5-sulfonamide is sourced from PubChem (CID 50760140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).