N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide

C16H15N3O3S2 — CID 167988082

IUPACN-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide
SMILESCS(=O)(=O)c1ccccc1-n1cc(NC(=O)Cc2cccs2)cn1
InChIInChI=1S/C16H15N3O3S2/c1-24(21,22)15-7-3-2-6-14(15)19-11-12(10-17-19)18-16(20)9-13-5-4-8-23-13/h2-8,10-11H,9H2,1H3,(H,18,20)
InChIKeyXEDRYLVUXRPCDU-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.52
Rot. Bonds5

About N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide

N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide (PubChem CID 167988082) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide
PubChem CID167988082
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC NameN-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide
SMILESCS(=O)(=O)c1ccccc1-n1cc(NC(=O)Cc2cccs2)cn1
InChIInChI=1S/C16H15N3O3S2/c1-24(21,22)15-7-3-2-6-14(15)19-11-12(10-17-19)18-16(20)9-13-5-4-8-23-13/h2-8,10-11H,9H2,1H3,(H,18,20)
InChIKeyXEDRYLVUXRPCDU-UHFFFAOYSA-N
XLogP2.52
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]benzamide
CID 56782351
N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 56782059
N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 119319470
2-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792369
3-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119776547
N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119319462
N-(4-methyl-3-sulfamoylphenyl)-2-thiophen-2-ylacetamide
CID 9140832
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 94811903
N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 115268484
N-(6-fluoro-3-pyridinyl)-2-thiophen-2-ylacetamide
CID 103789992
N-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113015222
N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 71970651

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide (CID 167988082) is N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide is CS(=O)(=O)c1ccccc1-n1cc(NC(=O)Cc2cccs2)cn1.
What is the InChIKey of N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The InChIKey is XEDRYLVUXRPCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c1-24(21,22)15-7-3-2-6-14(15)19-11-12(10-17-19)18-16(20)9-13-5-4-8-23-13/h2-8,10-11H,9H2,1H3,(H,18,20).
What are the key properties of N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide?
N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide has a molecular weight of 361.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 167988082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).