N-(2-methylbutan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

C18H28N2O3S — CID 5007860

IUPACN-(2-methylbutan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCCC(C)(C)NC(=O)C1CCCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C18H28N2O3S/c1-5-18(3,4)19-17(21)15-7-6-12-20(13-15)24(22,23)16-10-8-14(2)9-11-16/h8-11,15H,5-7,12-13H2,1-4H3,(H,19,21)
InChIKeyMAFAUKVDUSALJN-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.70
Rot. Bonds5

About N-(2-methylbutan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

N-(2-methylbutan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 5007860) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID5007860
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-(2-methylbutan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCCC(C)(C)NC(=O)C1CCCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C18H28N2O3S/c1-5-18(3,4)19-17(21)15-7-6-12-20(13-15)24(22,23)16-10-8-14(2)9-11-16/h8-11,15H,5-7,12-13H2,1-4H3,(H,19,21)
InChIKeyMAFAUKVDUSALJN-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methylbutan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119573994
(3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473935
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119598801
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
ethyl (3R)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884372
ethyl (3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884371
N-[3-(methylamino)propyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119431683
N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119383671
N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3151854
(3S)-N'-(4-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473922
(3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 1078490
(3S)-N-(3-methylbutyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1081589

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-methylbutan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 5007860) is N-(2-methylbutan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is CCC(C)(C)NC(=O)C1CCCN(S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of N-(2-methylbutan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is MAFAUKVDUSALJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-5-18(3,4)19-17(21)15-7-6-12-20(13-15)24(22,23)16-10-8-14(2)9-11-16/h8-11,15H,5-7,12-13H2,1-4H3,(H,19,21).
What are the key properties of N-(2-methylbutan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
N-(2-methylbutan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 5007860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).