1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

C18H24N4O3S2 — CID 6621680

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
SMILESCSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1
InChIInChI=1S/C18H24N4O3S2/c1-12-17(13(2)21-20-12)27(24,25)22-9-7-14(8-10-22)18(23)19-15-5-4-6-16(11-15)26-3/h4-6,11,14H,7-10H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyXGAXYBQFAAGKNZ-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.79
Rot. Bonds5

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide (PubChem CID 6621680) has the molecular formula C18H24N4O3S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
PubChem CID6621680
Molecular FormulaC18H24N4O3S2
Molecular Weight408.55 g/mol
Exact Mass408.13
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
SMILESCSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1
InChIInChI=1S/C18H24N4O3S2/c1-12-17(13(2)21-20-12)27(24,25)22-9-7-14(8-10-22)18(23)19-15-5-4-6-16(11-15)26-3/h4-6,11,14H,7-10H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyXGAXYBQFAAGKNZ-UHFFFAOYSA-N
XLogP2.79
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-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-(3,5-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 3240778
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 15990922
N-(2,4-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 20851631
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 15990926
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 20851628
N-(4-bromo-2-fluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 20851629
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 42960133
N-(2,3-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 20851627
N-(3,4-difluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 40500869
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 4151087
N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide
CID 15998465
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 15999109

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide (CID 6621680) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide is CSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide?
The InChIKey is XGAXYBQFAAGKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S2/c1-12-17(13(2)21-20-12)27(24,25)22-9-7-14(8-10-22)18(23)19-15-5-4-6-16(11-15)26-3/h4-6,11,14H,7-10H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 6621680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).