N,2-dimethyl-N-(4-methylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide

C21H32N2O3S — CID 55372562

IUPACN,2-dimethyl-N-(4-methylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C21H32N2O3S/c1-16-7-10-18(11-8-16)22(3)21(24)20-15-19(12-9-17(20)2)27(25,26)23-13-5-4-6-14-23/h9,12,15-16,18H,4-8,10-11,13-14H2,1-3H3
InChIKeyHXPJEJRKGMHFCU-UHFFFAOYSA-N
MW392.57 g/mol
LogP3.82
Rot. Bonds4

About N,2-dimethyl-N-(4-methylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide

N,2-dimethyl-N-(4-methylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 55372562) has the molecular formula C21H32N2O3S and a molecular weight of 392.57 g/mol. Its IUPAC name is N,2-dimethyl-N-(4-methylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(4-methylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID55372562
Molecular FormulaC21H32N2O3S
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC NameN,2-dimethyl-N-(4-methylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C21H32N2O3S/c1-16-7-10-18(11-8-16)22(3)21(24)20-15-19(12-9-17(20)2)27(25,26)23-13-5-4-6-14-23/h9,12,15-16,18H,4-8,10-11,13-14H2,1-3H3
InChIKeyHXPJEJRKGMHFCU-UHFFFAOYSA-N
XLogP3.82
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-(1-methylpiperidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 2361083
N,2-dimethyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
CID 32915727
2-[cyclopropyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]acetic acid
CID 119194905
2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide
CID 55347248
5-(ethylsulfamoyl)-N,2-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 32916846
N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 60604552
2-methyl-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982783
azepan-1-yl-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 2344798
N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479
N-cyclopropyl-1-(3,4-dimethylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 55636271
N-cyclohexyl-1-(3,4-dimethylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 51147994
N,2-dimethyl-N-(1-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 43021987

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(4-methylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N,2-dimethyl-N-(4-methylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide (CID 55372562) is N,2-dimethyl-N-(4-methylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N,2-dimethyl-N-(4-methylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N,2-dimethyl-N-(4-methylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(C)C1CCC(C)CC1.
What is the InChIKey of N,2-dimethyl-N-(4-methylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is HXPJEJRKGMHFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3S/c1-16-7-10-18(11-8-16)22(3)21(24)20-15-19(12-9-17(20)2)27(25,26)23-13-5-4-6-14-23/h9,12,15-16,18H,4-8,10-11,13-14H2,1-3H3.
What are the key properties of N,2-dimethyl-N-(4-methylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide?
N,2-dimethyl-N-(4-methylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 392.57 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(4-methylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55372562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).