1-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C23H28N4O3S2 — CID 53076159

IUPAC1-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(S(=O)(=O)N3CCC(C(=O)NCc4cccs4)CC3)c2C)cc1
InChIInChI=1S/C23H28N4O3S2/c1-16-6-8-20(9-7-16)27-18(3)22(17(2)25-27)32(29,30)26-12-10-19(11-13-26)23(28)24-15-21-5-4-14-31-21/h4-9,14,19H,10-13,15H2,1-3H3,(H,24,28)
InChIKeyULTFCFSNZDIJFF-UHFFFAOYSA-N
MW472.64 g/mol
LogP3.58
Rot. Bonds6

About 1-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 53076159) has the molecular formula C23H28N4O3S2 and a molecular weight of 472.64 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID53076159
Molecular FormulaC23H28N4O3S2
Molecular Weight472.64 g/mol
Exact Mass472.16
IUPAC Name1-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(S(=O)(=O)N3CCC(C(=O)NCc4cccs4)CC3)c2C)cc1
InChIInChI=1S/C23H28N4O3S2/c1-16-6-8-20(9-7-16)27-18(3)22(17(2)25-27)32(29,30)26-12-10-19(11-13-26)23(28)24-15-21-5-4-14-31-21/h4-9,14,19H,10-13,15H2,1-3H3,(H,24,28)
InChIKeyULTFCFSNZDIJFF-UHFFFAOYSA-N
XLogP3.58
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.64
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 3242699
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810492
1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 46358715
1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 22581091
1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 20920252
1-[2-(4-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 20920433
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 53076020
1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 46602349
N-(3-chloro-4-methylphenyl)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53075988
(3R)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 40953010
N-(3-acetylphenyl)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53076000
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 53075975

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 53076159) is 1-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is Cc1ccc(-n2nc(C)c(S(=O)(=O)N3CCC(C(=O)NCc4cccs4)CC3)c2C)cc1.
What is the InChIKey of 1-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ULTFCFSNZDIJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S2/c1-16-6-8-20(9-7-16)27-18(3)22(17(2)25-27)32(29,30)26-12-10-19(11-13-26)23(28)24-15-21-5-4-14-31-21/h4-9,14,19H,10-13,15H2,1-3H3,(H,24,28).
What are the key properties of 1-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 472.64 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53076159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).