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

C13H13BrN2O3S2 — CID 79999800

IUPAC5-bromo-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C13H13BrN2O3S2/c1-7-3-4-9(21(15,18)19)6-10(7)16-13(17)11-5-8(2)12(14)20-11/h3-6H,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeySRXZMOUUPCVOEO-UHFFFAOYSA-N
MW389.30 g/mol
LogP3.03
Rot. Bonds3

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

5-bromo-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide (PubChem CID 79999800) has the molecular formula C13H13BrN2O3S2 and a molecular weight of 389.30 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide
PubChem CID79999800
Molecular FormulaC13H13BrN2O3S2
Molecular Weight389.30 g/mol
Exact Mass387.96
IUPAC Name5-bromo-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C13H13BrN2O3S2/c1-7-3-4-9(21(15,18)19)6-10(7)16-13(17)11-5-8(2)12(14)20-11/h3-6H,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeySRXZMOUUPCVOEO-UHFFFAOYSA-N
XLogP3.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide
CID 79999807
N-(2-bromo-4-sulfamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65238411
N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79916167
4,5-dibromo-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide
CID 80534332
5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 107592608
5-bromo-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 79941495
2-hydroxy-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 61129726
N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976427
5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 79990193
5-bromo-4-methyl-N-[2-(methylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 79998270
5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide
CID 103586267
3-[(4,5-dibromothiophene-2-carbonyl)amino]-4-methylbenzoic acid
CID 43239573

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide (CID 79999800) is 5-bromo-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide is Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide?
The InChIKey is SRXZMOUUPCVOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S2/c1-7-3-4-9(21(15,18)19)6-10(7)16-13(17)11-5-8(2)12(14)20-11/h3-6H,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 5-bromo-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide?
5-bromo-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide has a molecular weight of 389.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 79999800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).