3-(benzenesulfonamido)-N-[3-(1-methylpyrazol-3-yl)phenyl]thiophene-2-carboxamide

C21H18N4O3S2 — CID 142133826

IUPAC3-(benzenesulfonamido)-N-[3-(1-methylpyrazol-3-yl)phenyl]thiophene-2-carboxamide
SMILESCn1ccc(-c2cccc(NC(=O)c3sccc3NS(=O)(=O)c3ccccc3)c2)n1
InChIInChI=1S/C21H18N4O3S2/c1-25-12-10-18(23-25)15-6-5-7-16(14-15)22-21(26)20-19(11-13-29-20)24-30(27,28)17-8-3-2-4-9-17/h2-14,24H,1H3,(H,22,26)
InChIKeyGPLKYMAHPIDGJO-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.20
Rot. Bonds6

About 3-(benzenesulfonamido)-N-[3-(1-methylpyrazol-3-yl)phenyl]thiophene-2-carboxamide

3-(benzenesulfonamido)-N-[3-(1-methylpyrazol-3-yl)phenyl]thiophene-2-carboxamide (PubChem CID 142133826) has the molecular formula C21H18N4O3S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[3-(1-methylpyrazol-3-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[3-(1-methylpyrazol-3-yl)phenyl]thiophene-2-carboxamide
PubChem CID142133826
Molecular FormulaC21H18N4O3S2
Molecular Weight438.53 g/mol
Exact Mass438.08
IUPAC Name3-(benzenesulfonamido)-N-[3-(1-methylpyrazol-3-yl)phenyl]thiophene-2-carboxamide
SMILESCn1ccc(-c2cccc(NC(=O)c3sccc3NS(=O)(=O)c3ccccc3)c2)n1
InChIInChI=1S/C21H18N4O3S2/c1-25-12-10-18(23-25)15-6-5-7-16(14-15)22-21(26)20-19(11-13-29-20)24-30(27,28)17-8-3-2-4-9-17/h2-14,24H,1H3,(H,22,26)
InChIKeyGPLKYMAHPIDGJO-UHFFFAOYSA-N
XLogP4.20
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(benzenesulfonamido)-N-[3-(1-methylpyrazol-3-yl)phenyl]thiophene-2-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

5-methyl-N-(3-{N-[(1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
CID 7308643
N-[4-(dimethylamino)phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2336084
N-[3-(1H-pyrazol-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1245434
1-(4-Sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 76314647
N-[3-(4-oxo-3,5-dihydrothieno[3,4-b][1,4]diazepin-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 122508691
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6893264
N-[(E)-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6906857
N-benzyl-1-phenyl-3-(2-thienyl)-1H-pyrazole-4-carboxamide
CID 1290531
N-(4-carbamoylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336068
1-phenyl-N-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2474599
N-benzyl-1-phenyl-5-propyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 2811259
1,3-dimethyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]pyrazole-4-carboxamide
CID 58825321

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[3-(1-methylpyrazol-3-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[3-(1-methylpyrazol-3-yl)phenyl]thiophene-2-carboxamide (CID 142133826) is 3-(benzenesulfonamido)-N-[3-(1-methylpyrazol-3-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[3-(1-methylpyrazol-3-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[3-(1-methylpyrazol-3-yl)phenyl]thiophene-2-carboxamide is Cn1ccc(-c2cccc(NC(=O)c3sccc3NS(=O)(=O)c3ccccc3)c2)n1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[3-(1-methylpyrazol-3-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is GPLKYMAHPIDGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S2/c1-25-12-10-18(23-25)15-6-5-7-16(14-15)22-21(26)20-19(11-13-29-20)24-30(27,28)17-8-3-2-4-9-17/h2-14,24H,1H3,(H,22,26).
What are the key properties of 3-(benzenesulfonamido)-N-[3-(1-methylpyrazol-3-yl)phenyl]thiophene-2-carboxamide?
3-(benzenesulfonamido)-N-[3-(1-methylpyrazol-3-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[3-(1-methylpyrazol-3-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 142133826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).