5-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide

C12H12N2O3S2 — CID 36865757

IUPAC5-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C12H12N2O3S2/c1-8-2-7-11(18-8)12(15)14-9-3-5-10(6-4-9)19(13,16)17/h2-7H,1H3,(H,14,15)(H2,13,16,17)
InChIKeyAPPSNJBTRHSJHJ-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.96
Rot. Bonds3

About 5-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide

5-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide (PubChem CID 36865757) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
PubChem CID36865757
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Name5-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C12H12N2O3S2/c1-8-2-7-11(18-8)12(15)14-9-3-5-10(6-4-9)19(13,16)17/h2-7H,1H3,(H,14,15)(H2,13,16,17)
InChIKeyAPPSNJBTRHSJHJ-UHFFFAOYSA-N
XLogP1.96
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminophenyl)-5-methylthiophene-2-carboxamide
CID 22612974
5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 2594407
5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 52555639
5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 26912608
N-(4-ethylphenyl)-5-methylthiophene-2-carboxamide
CID 42992010
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 42918457
5-methyl-N-(4-sulfamoylphenyl)-1,2-thiazole-3-carboxamide
CID 84576736
N-(4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 53124608
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
4-methoxy-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 79459948
5-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 4586039
methyl N-methyl-N-[4-[(5-methylthiophene-2-carbonyl)amino]phenyl]carbamate
CID 71937597

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide (CID 36865757) is 5-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)s1.
What is the InChIKey of 5-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide?
The InChIKey is APPSNJBTRHSJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-8-2-7-11(18-8)12(15)14-9-3-5-10(6-4-9)19(13,16)17/h2-7H,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 5-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide?
5-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 36865757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).