3-cyclopentylidene-1-methyl-N-(4-methylphenyl)-2-oxoindole-5-sulfonamide

C21H22N2O3S — CID 50759853

IUPAC3-cyclopentylidene-1-methyl-N-(4-methylphenyl)-2-oxoindole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3C)cc1
InChIInChI=1S/C21H22N2O3S/c1-14-7-9-16(10-8-14)22-27(25,26)17-11-12-19-18(13-17)20(21(24)23(19)2)15-5-3-4-6-15/h7-13,22H,3-6H2,1-2H3
InChIKeyMDLFFAVIXUTSAE-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.10
Rot. Bonds3

About 3-cyclopentylidene-1-methyl-N-(4-methylphenyl)-2-oxoindole-5-sulfonamide

3-cyclopentylidene-1-methyl-N-(4-methylphenyl)-2-oxoindole-5-sulfonamide (PubChem CID 50759853) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-cyclopentylidene-1-methyl-N-(4-methylphenyl)-2-oxoindole-5-sulfonamide.

Molecular Properties

Compound Name3-cyclopentylidene-1-methyl-N-(4-methylphenyl)-2-oxoindole-5-sulfonamide
PubChem CID50759853
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name3-cyclopentylidene-1-methyl-N-(4-methylphenyl)-2-oxoindole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3C)cc1
InChIInChI=1S/C21H22N2O3S/c1-14-7-9-16(10-8-14)22-27(25,26)17-11-12-19-18(13-17)20(21(24)23(19)2)15-5-3-4-6-15/h7-13,22H,3-6H2,1-2H3
InChIKeyMDLFFAVIXUTSAE-UHFFFAOYSA-N
XLogP4.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.10
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-N-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-5-sulfonamide
CID 50760100
3-cyclopentylidene-1-methyl-2-oxo-N-propylindole-5-sulfonamide
CID 50760140
3-cyclopentylidene-1-methyl-2-oxo-N-[(2R)-2-phenylpropyl]indole-5-sulfonamide
CID 94069346
3-cyclopentylidene-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)indole-5-sulfonamide
CID 50760117
3-cyclopentylidene-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methyl-2-oxoindole-5-sulfonamide
CID 92501377
N-(1-benzylpiperidin-4-yl)-3-cyclopentylidene-1-methyl-2-oxoindole-5-sulfonamide
CID 50760062
3-cyclopentylidene-1-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylindol-2-one
CID 50760120
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-4-methylbenzenesulfonamide
CID 16809487
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
3,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzenesulfonamide
CID 110732709
4-methyl-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide
CID 110778415
N-(4-chlorophenyl)-5-methyl-6-oxobenzo[b][1,4]benzoxazepine-8-sulfonamide
CID 26435665

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylidene-1-methyl-N-(4-methylphenyl)-2-oxoindole-5-sulfonamide?
The IUPAC name of 3-cyclopentylidene-1-methyl-N-(4-methylphenyl)-2-oxoindole-5-sulfonamide (CID 50759853) is 3-cyclopentylidene-1-methyl-N-(4-methylphenyl)-2-oxoindole-5-sulfonamide.
What is the SMILES notation for 3-cyclopentylidene-1-methyl-N-(4-methylphenyl)-2-oxoindole-5-sulfonamide?
The canonical SMILES for 3-cyclopentylidene-1-methyl-N-(4-methylphenyl)-2-oxoindole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3C)cc1.
What is the InChIKey of 3-cyclopentylidene-1-methyl-N-(4-methylphenyl)-2-oxoindole-5-sulfonamide?
The InChIKey is MDLFFAVIXUTSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-14-7-9-16(10-8-14)22-27(25,26)17-11-12-19-18(13-17)20(21(24)23(19)2)15-5-3-4-6-15/h7-13,22H,3-6H2,1-2H3.
What are the key properties of 3-cyclopentylidene-1-methyl-N-(4-methylphenyl)-2-oxoindole-5-sulfonamide?
3-cyclopentylidene-1-methyl-N-(4-methylphenyl)-2-oxoindole-5-sulfonamide has a molecular weight of 382.49 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylidene-1-methyl-N-(4-methylphenyl)-2-oxoindole-5-sulfonamide is sourced from PubChem (CID 50759853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).