(3S)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide

C24H35N3O4S — CID 124770008

IUPAC(3S)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)N[C@@H]4CCCC[C@H]4C)C3)cc2C[C@@H]1C
InChIInChI=1S/C24H35N3O4S/c1-16-7-4-5-9-22(16)25-24(29)19-8-6-12-26(15-19)32(30,31)21-10-11-23-20(14-21)13-17(2)27(23)18(3)28/h10-11,14,16-17,19,22H,4-9,12-13,15H2,1-3H3,(H,25,29)/t16-,17+,19+,22-/m1/s1
InChIKeyOQRMBCNYLYEOCT-NIRMNWTQSA-N
MW461.63 g/mol
LogP3.08
Rot. Bonds4

About (3S)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide

(3S)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide (PubChem CID 124770008) has the molecular formula C24H35N3O4S and a molecular weight of 461.63 g/mol. Its IUPAC name is (3S)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide
PubChem CID124770008
Molecular FormulaC24H35N3O4S
Molecular Weight461.63 g/mol
Exact Mass461.23
IUPAC Name(3S)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)N[C@@H]4CCCC[C@H]4C)C3)cc2C[C@@H]1C
InChIInChI=1S/C24H35N3O4S/c1-16-7-4-5-9-22(16)25-24(29)19-8-6-12-26(15-19)32(30,31)21-10-11-23-20(14-21)13-17(2)27(23)18(3)28/h10-11,14,16-17,19,22H,4-9,12-13,15H2,1-3H3,(H,25,29)/t16-,17+,19+,22-/m1/s1
InChIKeyOQRMBCNYLYEOCT-NIRMNWTQSA-N
XLogP3.08
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 92687756
(3R)-N-cyclohexyl-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]piperidine-3-carboxamide
CID 92688064
1-[(2R)-2-methyl-5-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 98470015
1-[5-[3-(azepan-1-yl)piperidin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 86900571
1-[5-(3-aminopiperidin-1-yl)sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 119959828
4-[[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide
CID 20903301
(3S)-1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 100892879
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide
CID 9273373
(3R)-1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 99731247
1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 20909700
1-[(2R)-5-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 100893712
1-[(2S)-5-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 92689394

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide (CID 124770008) is (3S)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide is CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)N[C@@H]4CCCC[C@H]4C)C3)cc2C[C@@H]1C.
What is the InChIKey of (3S)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide?
The InChIKey is OQRMBCNYLYEOCT-NIRMNWTQSA-N. The full InChI is InChI=1S/C24H35N3O4S/c1-16-7-4-5-9-22(16)25-24(29)19-8-6-12-26(15-19)32(30,31)21-10-11-23-20(14-21)13-17(2)27(23)18(3)28/h10-11,14,16-17,19,22H,4-9,12-13,15H2,1-3H3,(H,25,29)/t16-,17+,19+,22-/m1/s1.
What are the key properties of (3S)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide?
(3S)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide has a molecular weight of 461.63 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide is sourced from PubChem (CID 124770008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).