(3S)-N-cyclohexyl-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide

C23H33N3O4S — CID 41024792

IUPAC(3S)-N-cyclohexyl-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1)C1CCCCC1
InChIInChI=1S/C23H33N3O4S/c1-24(19-8-3-2-4-9-19)23(28)18-7-5-15-25(17-18)31(29,30)21-13-11-20(12-14-21)26-16-6-10-22(26)27/h11-14,18-19H,2-10,15-17H2,1H3/t18-/m0/s1
InChIKeyGXPWTSYEZGHMFC-SFHVURJKSA-N
MW447.60 g/mol
LogP3.01
Rot. Bonds5

About (3S)-N-cyclohexyl-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide

(3S)-N-cyclohexyl-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide (PubChem CID 41024792) has the molecular formula C23H33N3O4S and a molecular weight of 447.60 g/mol. Its IUPAC name is (3S)-N-cyclohexyl-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclohexyl-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
PubChem CID41024792
Molecular FormulaC23H33N3O4S
Molecular Weight447.60 g/mol
Exact Mass447.22
IUPAC Name(3S)-N-cyclohexyl-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1)C1CCCCC1
InChIInChI=1S/C23H33N3O4S/c1-24(19-8-3-2-4-9-19)23(28)18-7-5-15-25(17-18)31(29,30)21-13-11-20(12-14-21)26-16-6-10-22(26)27/h11-14,18-19H,2-10,15-17H2,1H3/t18-/m0/s1
InChIKeyGXPWTSYEZGHMFC-SFHVURJKSA-N
XLogP3.01
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-N-cyclohexyl-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-3-carboxamide
CID 51617060
1-(benzenesulfonyl)-N-cyclohexyl-N-methylpiperidine-3-carboxamide
CID 134025371
(3R)-N-cyclohexyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 41062070
1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 29105012
(3R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41024996
1-(4-fluorophenyl)sulfonyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide
CID 119441227
1-(4-chlorophenyl)sulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 24626125
methyl 1-[4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]phenyl]sulfonylpiperidine-3-carboxylate
CID 45354290
(3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156240
(3S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 41024969
1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-4-carboxamide
CID 27670607
1-[[1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one
CID 46966806

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclohexyl-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclohexyl-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide (CID 41024792) is (3S)-N-cyclohexyl-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclohexyl-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclohexyl-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide is CN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1)C1CCCCC1.
What is the InChIKey of (3S)-N-cyclohexyl-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The InChIKey is GXPWTSYEZGHMFC-SFHVURJKSA-N. The full InChI is InChI=1S/C23H33N3O4S/c1-24(19-8-3-2-4-9-19)23(28)18-7-5-15-25(17-18)31(29,30)21-13-11-20(12-14-21)26-16-6-10-22(26)27/h11-14,18-19H,2-10,15-17H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-N-cyclohexyl-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
(3S)-N-cyclohexyl-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide has a molecular weight of 447.60 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclohexyl-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 41024792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).