(3S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-phenylpiperidine-3-carboxamide

C26H33N3O4S — CID 27745975

IUPAC(3S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-phenylpiperidine-3-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C26H33N3O4S/c1-28(23-12-6-3-7-13-23)34(32,33)24-16-14-20(15-17-24)26(31)29-18-8-9-21(19-29)25(30)27-22-10-4-2-5-11-22/h2,4-5,10-11,14-17,21,23H,3,6-9,12-13,18-19H2,1H3,(H,27,30)/t21-/m0/s1
InChIKeyANCRPZUBOYLDKP-NRFANRHFSA-N
MW483.63 g/mol
LogP4.13
Rot. Bonds6

About (3S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-phenylpiperidine-3-carboxamide

(3S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 27745975) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is (3S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-phenylpiperidine-3-carboxamide
PubChem CID27745975
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC Name(3S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-phenylpiperidine-3-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C26H33N3O4S/c1-28(23-12-6-3-7-13-23)34(32,33)24-16-14-20(15-17-24)26(31)29-18-8-9-21(19-29)25(30)27-22-10-4-2-5-11-22/h2,4-5,10-11,14-17,21,23H,3,6-9,12-13,18-19H2,1H3,(H,27,30)/t21-/m0/s1
InChIKeyANCRPZUBOYLDKP-NRFANRHFSA-N
XLogP4.13
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-phenylpiperidine-3-carboxamide
CID 46662394
N-cyclohexyl-N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55468843
1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 42924913
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 46657993
(3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 25401110
1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 25162245
1-(6-methylpyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 18149048
4-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 55501544
1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 46578445
N-[4-(dimethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55560044

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-phenylpiperidine-3-carboxamide (CID 27745975) is (3S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-phenylpiperidine-3-carboxamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1.
What is the InChIKey of (3S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is ANCRPZUBOYLDKP-NRFANRHFSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-28(23-12-6-3-7-13-23)34(32,33)24-16-14-20(15-17-24)26(31)29-18-8-9-21(19-29)25(30)27-22-10-4-2-5-11-22/h2,4-5,10-11,14-17,21,23H,3,6-9,12-13,18-19H2,1H3,(H,27,30)/t21-/m0/s1.
What are the key properties of (3S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-phenylpiperidine-3-carboxamide?
(3S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 483.63 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 27745975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).