1-[cyclohexyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

C21H33N3O3S — CID 22552894

IUPAC1-[cyclohexyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCCN(S(=O)(=O)N(C)C2CCCCC2)C1
InChIInChI=1S/C21H33N3O3S/c1-17-9-6-7-10-18(17)15-22-21(25)19-11-8-14-24(16-19)28(26,27)23(2)20-12-4-3-5-13-20/h6-7,9-10,19-20H,3-5,8,11-16H2,1-2H3,(H,22,25)
InChIKeyYZHPRRNRWNKIQB-UHFFFAOYSA-N
MW407.58 g/mol
LogP2.83
Rot. Bonds6

About 1-[cyclohexyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

1-[cyclohexyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 22552894) has the molecular formula C21H33N3O3S and a molecular weight of 407.58 g/mol. Its IUPAC name is 1-[cyclohexyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[cyclohexyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID22552894
Molecular FormulaC21H33N3O3S
Molecular Weight407.58 g/mol
Exact Mass407.22
IUPAC Name1-[cyclohexyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCCN(S(=O)(=O)N(C)C2CCCCC2)C1
InChIInChI=1S/C21H33N3O3S/c1-17-9-6-7-10-18(17)15-22-21(25)19-11-8-14-24(16-19)28(26,27)23(2)20-12-4-3-5-13-20/h6-7,9-10,19-20H,3-5,8,11-16H2,1-2H3,(H,22,25)
InChIKeyYZHPRRNRWNKIQB-UHFFFAOYSA-N
XLogP2.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-methylphenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 58702028
(3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 93486945
1-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 43917077
(3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 39730085
1-(dimethylsulfamoyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 46772253
(3R)-N-[(2-methylphenyl)methyl]-1-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
CID 97044170
(3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 1456805
(3S)-1-[[(2S)-2-ethyl-6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl]sulfonyl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 93055487
N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924153
N-[(2-methylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 27839070
(3R)-1-(dimethylsulfamoyl)-N-(2-ethyl-6-methylphenyl)piperidine-3-carboxamide
CID 94011647
(3R)-1-(benzenesulfonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 38741196

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[cyclohexyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide (CID 22552894) is 1-[cyclohexyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[cyclohexyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[cyclohexyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccccc1CNC(=O)C1CCCN(S(=O)(=O)N(C)C2CCCCC2)C1.
What is the InChIKey of 1-[cyclohexyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is YZHPRRNRWNKIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S/c1-17-9-6-7-10-18(17)15-22-21(25)19-11-8-14-24(16-19)28(26,27)23(2)20-12-4-3-5-13-20/h6-7,9-10,19-20H,3-5,8,11-16H2,1-2H3,(H,22,25).
What are the key properties of 1-[cyclohexyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
1-[cyclohexyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 407.58 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 22552894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).