3-cyclopentylidene-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)indole-5-sulfonamide

C20H21N3O3S — CID 50760117

IUPAC3-cyclopentylidene-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)indole-5-sulfonamide
SMILESCN1C(=O)C(=C2CCCC2)c2cc(S(=O)(=O)NCc3ccccn3)ccc21
InChIInChI=1S/C20H21N3O3S/c1-23-18-10-9-16(27(25,26)22-13-15-8-4-5-11-21-15)12-17(18)19(20(23)24)14-6-2-3-7-14/h4-5,8-12,22H,2-3,6-7,13H2,1H3
InChIKeySPUNAOPDLCIOLX-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.86
Rot. Bonds4

About 3-cyclopentylidene-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)indole-5-sulfonamide

3-cyclopentylidene-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)indole-5-sulfonamide (PubChem CID 50760117) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-cyclopentylidene-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)indole-5-sulfonamide.

Molecular Properties

Compound Name3-cyclopentylidene-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)indole-5-sulfonamide
PubChem CID50760117
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name3-cyclopentylidene-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)indole-5-sulfonamide
SMILESCN1C(=O)C(=C2CCCC2)c2cc(S(=O)(=O)NCc3ccccn3)ccc21
InChIInChI=1S/C20H21N3O3S/c1-23-18-10-9-16(27(25,26)22-13-15-8-4-5-11-21-15)12-17(18)19(20(23)24)14-6-2-3-7-14/h4-5,8-12,22H,2-3,6-7,13H2,1H3
InChIKeySPUNAOPDLCIOLX-UHFFFAOYSA-N
XLogP2.86
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.86
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
3-cyclopentylidene-1-methyl-2-oxo-N-[(2R)-2-phenylpropyl]indole-5-sulfonamide
CID 94069346
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 53284171
3-cyclopentylidene-1-methyl-N-(4-methylphenyl)-2-oxoindole-5-sulfonamide
CID 50759853
3-cyclopentylidene-1-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylindol-2-one
CID 50760120
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
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
3-cyclopentylidene-N-(3,4-dimethoxyphenyl)-1-methyl-2-oxoindole-5-sulfonamide
CID 50760100
4-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 46272074
3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43257796
4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6493048

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylidene-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)indole-5-sulfonamide?
The IUPAC name of 3-cyclopentylidene-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)indole-5-sulfonamide (CID 50760117) is 3-cyclopentylidene-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)indole-5-sulfonamide.
What is the SMILES notation for 3-cyclopentylidene-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)indole-5-sulfonamide?
The canonical SMILES for 3-cyclopentylidene-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)indole-5-sulfonamide is CN1C(=O)C(=C2CCCC2)c2cc(S(=O)(=O)NCc3ccccn3)ccc21.
What is the InChIKey of 3-cyclopentylidene-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)indole-5-sulfonamide?
The InChIKey is SPUNAOPDLCIOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-23-18-10-9-16(27(25,26)22-13-15-8-4-5-11-21-15)12-17(18)19(20(23)24)14-6-2-3-7-14/h4-5,8-12,22H,2-3,6-7,13H2,1H3.
What are the key properties of 3-cyclopentylidene-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)indole-5-sulfonamide?
3-cyclopentylidene-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)indole-5-sulfonamide has a molecular weight of 383.47 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylidene-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)indole-5-sulfonamide is sourced from PubChem (CID 50760117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).