N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide

C19H28N2O3S — CID 18074440

IUPACN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C19H28N2O3S/c1-15-10-11-17(25(23,24)21-12-6-3-7-13-21)14-18(15)20-19(22)16-8-4-2-5-9-16/h10-11,14,16H,2-9,12-13H2,1H3,(H,20,22)
InChIKeyFKZHDMCDUOTZQZ-UHFFFAOYSA-N
MW364.51 g/mol
LogP3.69
Rot. Bonds4

About N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide

N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide (PubChem CID 18074440) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
PubChem CID18074440
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C19H28N2O3S/c1-15-10-11-17(25(23,24)21-12-6-3-7-13-21)14-18(15)20-19(22)16-8-4-2-5-9-16/h10-11,14,16H,2-9,12-13H2,1H3,(H,20,22)
InChIKeyFKZHDMCDUOTZQZ-UHFFFAOYSA-N
XLogP3.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 4849484
2-(cyclopentylamino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4135329
1-methyl-3-(2-methyl-5-piperidin-1-ylsulfonylphenyl)thiourea
CID 7941210
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]cyclopropanecarboxamide
CID 26292561
N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide
CID 7761073
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133159453
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]cyclohexanecarboxamide
CID 17422008
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 11931297
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
2-[(2S)-2-methylpiperidin-1-ium-1-yl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 8583454
N-(2,5-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 4530655
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 11940890

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide (CID 18074440) is N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCCCC1.
What is the InChIKey of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide?
The InChIKey is FKZHDMCDUOTZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-15-10-11-17(25(23,24)21-12-6-3-7-13-21)14-18(15)20-19(22)16-8-4-2-5-9-16/h10-11,14,16H,2-9,12-13H2,1H3,(H,20,22).
What are the key properties of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide?
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide has a molecular weight of 364.51 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 18074440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).