1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide

C18H28N2O3S — CID 26695745

IUPAC1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)C)CC2)cc1C
InChIInChI=1S/C18H28N2O3S/c1-13(2)12-19-18(21)16-7-9-20(10-8-16)24(22,23)17-6-5-14(3)15(4)11-17/h5-6,11,13,16H,7-10,12H2,1-4H3,(H,19,21)
InChIKeyQYKAQQHPLKORDG-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.48
Rot. Bonds5

About 1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide

1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 26695745) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID26695745
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)C)CC2)cc1C
InChIInChI=1S/C18H28N2O3S/c1-13(2)12-19-18(21)16-7-9-20(10-8-16)24(22,23)17-6-5-14(3)15(4)11-17/h5-6,11,13,16H,7-10,12H2,1-4H3,(H,19,21)
InChIKeyQYKAQQHPLKORDG-UHFFFAOYSA-N
XLogP2.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119495981
1-(3,4-difluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 51159101
N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26590850
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430619
N-[(2S)-1-aminopropan-2-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 120509212
N-(3-aminopropyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119405837
1-(4-acetamidophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 113002804
1-(3,4-dimethylphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 26776108
1-(3,4-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 38294416
1-(3,4-dimethylphenyl)sulfonyl-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]piperidine-4-carboxamide
CID 122142477
1-(3,4-dimethylphenyl)sulfonyl-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide
CID 119510988
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46423937

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide (CID 26695745) is 1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)C)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is QYKAQQHPLKORDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-13(2)12-19-18(21)16-7-9-20(10-8-16)24(22,23)17-6-5-14(3)15(4)11-17/h5-6,11,13,16H,7-10,12H2,1-4H3,(H,19,21).
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide?
1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 26695745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).