3-cyclopentylidene-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methyl-2-oxoindole-5-sulfonamide

C21H29N3O3S — CID 92501377

IUPAC3-cyclopentylidene-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methyl-2-oxoindole-5-sulfonamide
SMILESCCN1CCC[C@H]1CNS(=O)(=O)c1ccc2c(c1)C(=C1CCCC1)C(=O)N2C
InChIInChI=1S/C21H29N3O3S/c1-3-24-12-6-9-16(24)14-22-28(26,27)17-10-11-19-18(13-17)20(21(25)23(19)2)15-7-4-5-8-15/h10-11,13,16,22H,3-9,12,14H2,1-2H3/t16-/m0/s1
InChIKeyXLSGGAREOWNJCS-INIZCTEOSA-N
MW403.55 g/mol
LogP2.75
Rot. Bonds5

About 3-cyclopentylidene-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methyl-2-oxoindole-5-sulfonamide

3-cyclopentylidene-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methyl-2-oxoindole-5-sulfonamide (PubChem CID 92501377) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is 3-cyclopentylidene-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methyl-2-oxoindole-5-sulfonamide.

Molecular Properties

Compound Name3-cyclopentylidene-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methyl-2-oxoindole-5-sulfonamide
PubChem CID92501377
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC Name3-cyclopentylidene-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methyl-2-oxoindole-5-sulfonamide
SMILESCCN1CCC[C@H]1CNS(=O)(=O)c1ccc2c(c1)C(=C1CCCC1)C(=O)N2C
InChIInChI=1S/C21H29N3O3S/c1-3-24-12-6-9-16(24)14-22-28(26,27)17-10-11-19-18(13-17)20(21(25)23(19)2)15-7-4-5-8-15/h10-11,13,16,22H,3-9,12,14H2,1-2H3/t16-/m0/s1
InChIKeyXLSGGAREOWNJCS-INIZCTEOSA-N
XLogP2.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-propylindole-5-sulfonamide
CID 50760140
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 58858762
3-cyclopentylidene-1-methyl-2-oxo-N-[(2R)-2-phenylpropyl]indole-5-sulfonamide
CID 94069346
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
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332097
N-(1-benzylpiperidin-4-yl)-3-cyclopentylidene-1-methyl-2-oxoindole-5-sulfonamide
CID 50760062
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 4889482
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 127266419
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2574466
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 51080618
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-oxo-3-propan-2-yl-1,3-benzoxazole-6-sulfonamide
CID 51499702

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylidene-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methyl-2-oxoindole-5-sulfonamide?
The IUPAC name of 3-cyclopentylidene-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methyl-2-oxoindole-5-sulfonamide (CID 92501377) is 3-cyclopentylidene-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methyl-2-oxoindole-5-sulfonamide.
What is the SMILES notation for 3-cyclopentylidene-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methyl-2-oxoindole-5-sulfonamide?
The canonical SMILES for 3-cyclopentylidene-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methyl-2-oxoindole-5-sulfonamide is CCN1CCC[C@H]1CNS(=O)(=O)c1ccc2c(c1)C(=C1CCCC1)C(=O)N2C.
What is the InChIKey of 3-cyclopentylidene-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methyl-2-oxoindole-5-sulfonamide?
The InChIKey is XLSGGAREOWNJCS-INIZCTEOSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-3-24-12-6-9-16(24)14-22-28(26,27)17-10-11-19-18(13-17)20(21(25)23(19)2)15-7-4-5-8-15/h10-11,13,16,22H,3-9,12,14H2,1-2H3/t16-/m0/s1.
What are the key properties of 3-cyclopentylidene-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methyl-2-oxoindole-5-sulfonamide?
3-cyclopentylidene-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methyl-2-oxoindole-5-sulfonamide has a molecular weight of 403.55 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylidene-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methyl-2-oxoindole-5-sulfonamide is sourced from PubChem (CID 92501377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).