4-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]thiophene-2-carboxamide

C16H16N4O3S2 — CID 20937294

IUPAC4-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]thiophene-2-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1csc(C(N)=O)c1
InChIInChI=1S/C16H16N4O3S2/c1-19(25(22,23)14-7-15(16(17)21)24-11-14)9-12-8-18-20(10-12)13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H2,17,21)
InChIKeyQRYIAZVHBBBDMC-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.85
Rot. Bonds6

About 4-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]thiophene-2-carboxamide

4-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]thiophene-2-carboxamide (PubChem CID 20937294) has the molecular formula C16H16N4O3S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]thiophene-2-carboxamide
PubChem CID20937294
Molecular FormulaC16H16N4O3S2
Molecular Weight376.46 g/mol
Exact Mass376.07
IUPAC Name4-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]thiophene-2-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1csc(C(N)=O)c1
InChIInChI=1S/C16H16N4O3S2/c1-19(25(22,23)14-7-15(16(17)21)24-11-14)9-12-8-18-20(10-12)13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H2,17,21)
InChIKeyQRYIAZVHBBBDMC-UHFFFAOYSA-N
XLogP1.85
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[benzyl(methyl)sulfamoyl]thiophene-2-carboxamide
CID 6486033
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17491199
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 25468393
4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide
CID 851375
N,3-dimethyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-1,3-benzoxazole-6-sulfonamide
CID 31534899
2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 26541420
4-chloro-2-fluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17495378
N-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine
CID 71847517
N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 17449715
4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61068586
N,2,3-trimethyl-5-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17495371
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 24504644

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]thiophene-2-carboxamide?
The IUPAC name of 4-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]thiophene-2-carboxamide (CID 20937294) is 4-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]thiophene-2-carboxamide is CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1csc(C(N)=O)c1.
What is the InChIKey of 4-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]thiophene-2-carboxamide?
The InChIKey is QRYIAZVHBBBDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S2/c1-19(25(22,23)14-7-15(16(17)21)24-11-14)9-12-8-18-20(10-12)13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H2,17,21).
What are the key properties of 4-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]thiophene-2-carboxamide?
4-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]thiophene-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 20937294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).