3-cyclopentylidene-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylindol-2-one

C22H22N2O3S — CID 50759973

IUPAC3-cyclopentylidene-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylindol-2-one
SMILESCN1C(=O)C(=C2CCCC2)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc21
InChIInChI=1S/C22H22N2O3S/c1-23-20-11-10-17(14-18(20)21(22(23)25)16-7-2-3-8-16)28(26,27)24-13-12-15-6-4-5-9-19(15)24/h4-6,9-11,14H,2-3,7-8,12-13H2,1H3
InChIKeyWAIYPQGOQYVUQT-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.74
Rot. Bonds2

About 3-cyclopentylidene-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylindol-2-one

3-cyclopentylidene-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylindol-2-one (PubChem CID 50759973) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 3-cyclopentylidene-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylindol-2-one.

Molecular Properties

Compound Name3-cyclopentylidene-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylindol-2-one
PubChem CID50759973
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name3-cyclopentylidene-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylindol-2-one
SMILESCN1C(=O)C(=C2CCCC2)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc21
InChIInChI=1S/C22H22N2O3S/c1-23-20-11-10-17(14-18(20)21(22(23)25)16-7-2-3-8-16)28(26,27)24-13-12-15-6-4-5-9-19(15)24/h4-6,9-11,14H,2-3,7-8,12-13H2,1H3
InChIKeyWAIYPQGOQYVUQT-UHFFFAOYSA-N
XLogP3.74
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
3-cyclopentylidene-1-methyl-2-oxo-N-[(2R)-2-phenylpropyl]indole-5-sulfonamide
CID 94069346
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 6462869
1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 43811959
2-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]isoindole-1,3-dione
CID 168517724
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308
4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 28796047
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
CID 134034304
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
CID 43332089
1-[(2-chloro-4-pyridinyl)sulfonyl]-2,3-dihydroindole
CID 54895623
1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole
CID 893382

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylidene-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylindol-2-one?
The IUPAC name of 3-cyclopentylidene-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylindol-2-one (CID 50759973) is 3-cyclopentylidene-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylindol-2-one.
What is the SMILES notation for 3-cyclopentylidene-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylindol-2-one?
The canonical SMILES for 3-cyclopentylidene-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylindol-2-one is CN1C(=O)C(=C2CCCC2)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc21.
What is the InChIKey of 3-cyclopentylidene-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylindol-2-one?
The InChIKey is WAIYPQGOQYVUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-23-20-11-10-17(14-18(20)21(22(23)25)16-7-2-3-8-16)28(26,27)24-13-12-15-6-4-5-9-19(15)24/h4-6,9-11,14H,2-3,7-8,12-13H2,1H3.
What are the key properties of 3-cyclopentylidene-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylindol-2-one?
3-cyclopentylidene-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylindol-2-one has a molecular weight of 394.50 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylidene-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylindol-2-one is sourced from PubChem (CID 50759973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).