N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C20H30N2O3S — CID 40563886

IUPACN-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1
InChIInChI=1S/C20H30N2O3S/c1-15-7-9-18(10-8-15)26(24,25)22-13-11-17(12-14-22)20(23)21-19-6-4-3-5-16(19)2/h7-10,16-17,19H,3-6,11-14H2,1-2H3,(H,21,23)/t16-,19-/m1/s1
InChIKeyBWTKJEIRFOTZQX-VQIMIIECSA-N
MW378.54 g/mol
LogP3.09
Rot. Bonds4

About N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 40563886) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID40563886
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC NameN-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1
InChIInChI=1S/C20H30N2O3S/c1-15-7-9-18(10-8-15)26(24,25)22-13-11-17(12-14-22)20(23)21-19-6-4-3-5-16(19)2/h7-10,16-17,19H,3-6,11-14H2,1-2H3,(H,21,23)/t16-,19-/m1/s1
InChIKeyBWTKJEIRFOTZQX-VQIMIIECSA-N
XLogP3.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 30670120
[(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 30670119
N-[(1R,2S)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8743015
1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 9404010
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide
CID 9273373
N-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide
CID 9463751
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 24563915
1-ethylsulfonyl-N-[(1S,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 40516825
1-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpiperidine-4-carboxamide
CID 119426293
1-(benzenesulfonyl)-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]piperidine-4-carboxamide
CID 40961479
N-[(1S,2R)-2-methylcyclohexyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 25497341

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 40563886) is N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1.
What is the InChIKey of N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is BWTKJEIRFOTZQX-VQIMIIECSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-15-7-9-18(10-8-15)26(24,25)22-13-11-17(12-14-22)20(23)21-19-6-4-3-5-16(19)2/h7-10,16-17,19H,3-6,11-14H2,1-2H3,(H,21,23)/t16-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 378.54 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 40563886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).