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

C22H24N2O5S — CID 50760100

IUPAC3-cyclopentylidene-N-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3C)cc1OC
InChIInChI=1S/C22H24N2O5S/c1-24-18-10-9-16(13-17(18)21(22(24)25)14-6-4-5-7-14)30(26,27)23-15-8-11-19(28-2)20(12-15)29-3/h8-13,23H,4-7H2,1-3H3
InChIKeyPUUSCRQLWFSDBC-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.81
Rot. Bonds5

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

3-cyclopentylidene-N-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-5-sulfonamide (PubChem CID 50760100) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is 3-cyclopentylidene-N-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-5-sulfonamide.

Molecular Properties

Compound Name3-cyclopentylidene-N-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-5-sulfonamide
PubChem CID50760100
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC Name3-cyclopentylidene-N-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3C)cc1OC
InChIInChI=1S/C22H24N2O5S/c1-24-18-10-9-16(13-17(18)21(22(24)25)14-6-4-5-7-14)30(26,27)23-15-8-11-19(28-2)20(12-15)29-3/h8-13,23H,4-7H2,1-3H3
InChIKeyPUUSCRQLWFSDBC-UHFFFAOYSA-N
XLogP3.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentylidene-1-methyl-N-(4-methylphenyl)-2-oxoindole-5-sulfonamide
CID 50759853
3-cyclopentylidene-1-methyl-2-oxo-N-propylindole-5-sulfonamide
CID 50760140
N-(3,4-dimethoxyphenyl)-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide
CID 43853558
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
3,4-dimethoxy-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide
CID 18571406
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 7636383
4-fluoro-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide
CID 7636257
3-fluoro-4-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7636048
4-ethyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635876
3,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 17495368
3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 20962046

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylidene-N-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-5-sulfonamide?
The IUPAC name of 3-cyclopentylidene-N-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-5-sulfonamide (CID 50760100) is 3-cyclopentylidene-N-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-5-sulfonamide.
What is the SMILES notation for 3-cyclopentylidene-N-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-5-sulfonamide?
The canonical SMILES for 3-cyclopentylidene-N-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-5-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3C)cc1OC.
What is the InChIKey of 3-cyclopentylidene-N-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-5-sulfonamide?
The InChIKey is PUUSCRQLWFSDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-24-18-10-9-16(13-17(18)21(22(24)25)14-6-4-5-7-14)30(26,27)23-15-8-11-19(28-2)20(12-15)29-3/h8-13,23H,4-7H2,1-3H3.
What are the key properties of 3-cyclopentylidene-N-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-5-sulfonamide?
3-cyclopentylidene-N-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-5-sulfonamide has a molecular weight of 428.51 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylidene-N-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-5-sulfonamide is sourced from PubChem (CID 50760100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).