3-cyclopentylidene-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide

C22H24N2O3S — CID 50759991

IUPAC3-cyclopentylidene-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)NCCCc3ccccc3)cc2C1=C1CCCC1
InChIInChI=1S/C22H24N2O3S/c25-22-21(17-10-4-5-11-17)19-15-18(12-13-20(19)24-22)28(26,27)23-14-6-9-16-7-2-1-3-8-16/h1-3,7-8,12-13,15,23H,4-6,9-11,14H2,(H,24,25)
InChIKeyKWVVLLJVLQJFEH-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.88
Rot. Bonds6

About 3-cyclopentylidene-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide

3-cyclopentylidene-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide (PubChem CID 50759991) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 3-cyclopentylidene-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3-cyclopentylidene-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide
PubChem CID50759991
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name3-cyclopentylidene-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)NCCCc3ccccc3)cc2C1=C1CCCC1
InChIInChI=1S/C22H24N2O3S/c25-22-21(17-10-4-5-11-17)19-15-18(12-13-20(19)24-22)28(26,27)23-14-6-9-16-7-2-1-3-8-16/h1-3,7-8,12-13,15,23H,4-6,9-11,14H2,(H,24,25)
InChIKeyKWVVLLJVLQJFEH-UHFFFAOYSA-N
XLogP3.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentylidene-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-sulfonamide
CID 50759890
N-[(2-chlorophenyl)methyl]-3-cyclopentylidene-2-oxo-1H-indole-5-sulfonamide
CID 50760112
3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide
CID 110384507
3-cyclopentylidene-5-piperidin-1-ylsulfonyl-1H-indol-2-one
CID 50760016
(3Z)-2-oxo-N-(2-phenylethyl)-3-(pyridin-3-ylmethylidene)-1H-indole-5-sulfonamide
CID 163860881
2,3-dioxo-N-(4-phenylbutyl)-1,4-dihydroquinoxaline-6-sulfonamide
CID 24622217
3-cyclopentylidene-5-morpholin-4-ylsulfonyl-1H-indol-2-one
CID 50760017
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
4-iodo-N-(4-phenylbutyl)benzenesulfonamide
CID 5163174
N-cyclohexyl-3-cyclopentylidene-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 50760076
4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide
CID 134060499

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylidene-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide?
The IUPAC name of 3-cyclopentylidene-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide (CID 50759991) is 3-cyclopentylidene-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide.
What is the SMILES notation for 3-cyclopentylidene-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide?
The canonical SMILES for 3-cyclopentylidene-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide is O=C1Nc2ccc(S(=O)(=O)NCCCc3ccccc3)cc2C1=C1CCCC1.
What is the InChIKey of 3-cyclopentylidene-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide?
The InChIKey is KWVVLLJVLQJFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c25-22-21(17-10-4-5-11-17)19-15-18(12-13-20(19)24-22)28(26,27)23-14-6-9-16-7-2-1-3-8-16/h1-3,7-8,12-13,15,23H,4-6,9-11,14H2,(H,24,25).
What are the key properties of 3-cyclopentylidene-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide?
3-cyclopentylidene-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide has a molecular weight of 396.51 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylidene-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide is sourced from PubChem (CID 50759991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).