N-cyclopropyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C17H24N2O3S — CID 26693826

IUPACN-cyclopropyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)c(C)c1
InChIInChI=1S/C17H24N2O3S/c1-12-3-6-16(13(2)11-12)23(21,22)19-9-7-14(8-10-19)17(20)18-15-4-5-15/h3,6,11,14-15H,4-5,7-10H2,1-2H3,(H,18,20)
InChIKeyAXTNZCAFBABGPB-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.98
Rot. Bonds4

About N-cyclopropyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

N-cyclopropyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 26693826) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-cyclopropyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID26693826
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-cyclopropyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)c(C)c1
InChIInChI=1S/C17H24N2O3S/c1-12-3-6-16(13(2)11-12)23(21,22)19-9-7-14(8-10-19)17(20)18-15-4-5-15/h3,6,11,14-15H,4-5,7-10H2,1-2H3,(H,18,20)
InChIKeyAXTNZCAFBABGPB-UHFFFAOYSA-N
XLogP1.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Cycloheptyl-1-[(2,4,6-Trimethylphenyl)sulfonyl]piperidine-4-Carboxamide
CID 2110176
N-cyclohexyl-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 1210859
1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 3161026
N-cyclopropyl-1-[(4-methylphenyl)sulfonyl]-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 3396878
4-((2,4-Dimethylphenyl)sulfonyl)piperazin-2-one
CID 8321458
N-cyclopropyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 5136036
2-Propyl-pentanoic acid [2-(4-sulfamoyl-phenyl)-ethyl]-amide
CID 11099458
2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 889524
N-cyclohexyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide
CID 1090889
N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 17486918
N-benzyl-1-(mesitylsulfonyl)piperidine-4-carboxamide
CID 21372902

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 26693826) is N-cyclopropyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)c(C)c1.
What is the InChIKey of N-cyclopropyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is AXTNZCAFBABGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-12-3-6-16(13(2)11-12)23(21,22)19-9-7-14(8-10-19)17(20)18-15-4-5-15/h3,6,11,14-15H,4-5,7-10H2,1-2H3,(H,18,20).
What are the key properties of N-cyclopropyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-cyclopropyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26693826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).