(3S)-N-(cyclohexylmethyl)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxamide

C21H31N3O4S — CID 92729695

IUPAC(3S)-N-(cyclohexylmethyl)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)N2CCC[C@H](C(=O)NCC3CCCCC3)C2)c1
InChIInChI=1S/C21H31N3O4S/c1-29(27,28)23-19-11-5-9-17(13-19)21(26)24-12-6-10-18(15-24)20(25)22-14-16-7-3-2-4-8-16/h5,9,11,13,16,18,23H,2-4,6-8,10,12,14-15H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyLSGQLDPRXSMVQW-SFHVURJKSA-N
MW421.56 g/mol
LogP2.61
Rot. Bonds6

About (3S)-N-(cyclohexylmethyl)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxamide

(3S)-N-(cyclohexylmethyl)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxamide (PubChem CID 92729695) has the molecular formula C21H31N3O4S and a molecular weight of 421.56 g/mol. Its IUPAC name is (3S)-N-(cyclohexylmethyl)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(cyclohexylmethyl)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxamide
PubChem CID92729695
Molecular FormulaC21H31N3O4S
Molecular Weight421.56 g/mol
Exact Mass421.20
IUPAC Name(3S)-N-(cyclohexylmethyl)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)N2CCC[C@H](C(=O)NCC3CCCCC3)C2)c1
InChIInChI=1S/C21H31N3O4S/c1-29(27,28)23-19-11-5-9-17(13-19)21(26)24-12-6-10-18(15-24)20(25)22-14-16-7-3-2-4-8-16/h5,9,11,13,16,18,23H,2-4,6-8,10,12,14-15H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyLSGQLDPRXSMVQW-SFHVURJKSA-N
XLogP2.61
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxylate
CID 31469286
(3R)-1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 92729572
N-benzyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 50830133
(3R)-N-(2-methoxyethyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729638
1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide
CID 46387322
(3S)-N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729549
(3R)-N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 92728997
N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide
CID 51160926
N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide
CID 33457615
(3S)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 92729651
(3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92729485
1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 46387326

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(cyclohexylmethyl)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(cyclohexylmethyl)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxamide (CID 92729695) is (3S)-N-(cyclohexylmethyl)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(cyclohexylmethyl)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(cyclohexylmethyl)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxamide is CS(=O)(=O)Nc1cccc(C(=O)N2CCC[C@H](C(=O)NCC3CCCCC3)C2)c1.
What is the InChIKey of (3S)-N-(cyclohexylmethyl)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxamide?
The InChIKey is LSGQLDPRXSMVQW-SFHVURJKSA-N. The full InChI is InChI=1S/C21H31N3O4S/c1-29(27,28)23-19-11-5-9-17(13-19)21(26)24-12-6-10-18(15-24)20(25)22-14-16-7-3-2-4-8-16/h5,9,11,13,16,18,23H,2-4,6-8,10,12,14-15H2,1H3,(H,22,25)/t18-/m0/s1.
What are the key properties of (3S)-N-(cyclohexylmethyl)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxamide?
(3S)-N-(cyclohexylmethyl)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxamide has a molecular weight of 421.56 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(cyclohexylmethyl)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 92729695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).