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

C17H26N2O3S — CID 3153021

IUPAC1-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NCC(C)C)C2)cc1
InChIInChI=1S/C17H26N2O3S/c1-13(2)11-18-17(20)15-5-4-10-19(12-15)23(21,22)16-8-6-14(3)7-9-16/h6-9,13,15H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyHQFHWVCXHVEGJG-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.17
Rot. Bonds5

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

1-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide (PubChem CID 3153021) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide
PubChem CID3153021
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name1-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NCC(C)C)C2)cc1
InChIInChI=1S/C17H26N2O3S/c1-13(2)11-18-17(20)15-5-4-10-19(12-15)23(21,22)16-8-6-14(3)7-9-16/h6-9,13,15H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyHQFHWVCXHVEGJG-UHFFFAOYSA-N
XLogP2.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-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-[2-[4-(aminosulphonyl)phenyl]ethyl]acetamide
CID 745994
2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide
CID 10946908
N-Cycloheptyl-1-[(2,4,6-Trimethylphenyl)sulfonyl]piperidine-4-Carboxamide
CID 2110176
(3s,5r)-N-(2,2-Diphenylethyl)-5-{[(4-Methylphenyl)sulfonyl]amino}piperidine-3-Carboxamide
CID 11993712
N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)acetamide
CID 2186028
3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 670778
Sulfonamide deriv., 7c
CID 3433937
3-Methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 717239
N-cyclohexyl-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 1210859
3-{4-[(isobutylamino)sulfonyl]phenyl}-N-(2-phenylethyl)propanamide
CID 1289346
N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2435085
1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide (CID 3153021) is 1-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCC(C)C)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide?
The InChIKey is HQFHWVCXHVEGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13(2)11-18-17(20)15-5-4-10-19(12-15)23(21,22)16-8-6-14(3)7-9-16/h6-9,13,15H,4-5,10-12H2,1-3H3,(H,18,20).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide?
1-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 3153021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).