1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide

C21H30N2O4S — CID 9404010

IUPAC1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCC[C@@H]3C)CC2)c1
InChIInChI=1S/C21H30N2O4S/c1-15-6-3-4-9-20(15)22-21(25)17-10-12-23(13-11-17)28(26,27)19-8-5-7-18(14-19)16(2)24/h5,7-8,14-15,17,20H,3-4,6,9-13H2,1-2H3,(H,22,25)/t15-,20+/m0/s1
InChIKeyIOJSYBIYRANPQO-MGPUTAFESA-N
MW406.55 g/mol
LogP2.98
Rot. Bonds5

About 1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide

1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide (PubChem CID 9404010) has the molecular formula C21H30N2O4S and a molecular weight of 406.55 g/mol. Its IUPAC name is 1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
PubChem CID9404010
Molecular FormulaC21H30N2O4S
Molecular Weight406.55 g/mol
Exact Mass406.19
IUPAC Name1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCC[C@@H]3C)CC2)c1
InChIInChI=1S/C21H30N2O4S/c1-15-6-3-4-9-20(15)22-21(25)17-10-12-23(13-11-17)28(26,27)19-8-5-7-18(14-19)16(2)24/h5,7-8,14-15,17,20H,3-4,6,9-13H2,1-2H3,(H,22,25)/t15-,20+/m0/s1
InChIKeyIOJSYBIYRANPQO-MGPUTAFESA-N
XLogP2.98
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(1S,2R)-2-methylcyclohexyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 25497341
N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 40563886
1-(3-acetylphenyl)sulfonyl-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide
CID 9091183
1-[(1R,2R)-2-methylcyclohexyl]-3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea
CID 8668828
1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide
CID 26735300
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 24563915
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide
CID 51071212
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 3-piperidin-1-ylsulfonylbenzoate
CID 98652937
1-(3-acetylphenyl)sulfonyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide
CID 9087756
1-(3-acetylphenyl)sulfonyl-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide
CID 26115202
methyl 1-[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]cyclopentane-1-carboxylate
CID 55561235
1-(3-acetylphenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 8714129

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide (CID 9404010) is 1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide is CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCC[C@@H]3C)CC2)c1.
What is the InChIKey of 1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide?
The InChIKey is IOJSYBIYRANPQO-MGPUTAFESA-N. The full InChI is InChI=1S/C21H30N2O4S/c1-15-6-3-4-9-20(15)22-21(25)17-10-12-23(13-11-17)28(26,27)19-8-5-7-18(14-19)16(2)24/h5,7-8,14-15,17,20H,3-4,6,9-13H2,1-2H3,(H,22,25)/t15-,20+/m0/s1.
What are the key properties of 1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide?
1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide has a molecular weight of 406.55 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 9404010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).