5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide

C12H8BrF2NOS — CID 79934147

IUPAC5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(F)c2)sc1Br
InChIInChI=1S/C12H8BrF2NOS/c1-6-4-10(18-11(6)13)12(17)16-7-2-3-8(14)9(15)5-7/h2-5H,1H3,(H,16,17)
InChIKeyLAVZUHHHNBRXPZ-UHFFFAOYSA-N
MW332.17 g/mol
LogP4.35
Rot. Bonds2

About 5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide

5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide (PubChem CID 79934147) has the molecular formula C12H8BrF2NOS and a molecular weight of 332.17 g/mol. Its IUPAC name is 5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide
PubChem CID79934147
Molecular FormulaC12H8BrF2NOS
Molecular Weight332.17 g/mol
Exact Mass330.95
IUPAC Name5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(F)c2)sc1Br
InChIInChI=1S/C12H8BrF2NOS/c1-6-4-10(18-11(6)13)12(17)16-7-2-3-8(14)9(15)5-7/h2-5H,1H3,(H,16,17)
InChIKeyLAVZUHHHNBRXPZ-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-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

N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 82862298
5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 79959546
2-bromo-5-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 115295672
5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide
CID 79989528
N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79916167
5-bromo-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide
CID 79964276
5-bromo-4-methyl-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 79999376
5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide
CID 103586267
5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide
CID 79989970
methyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate
CID 79917096
5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 107592608
5-bromo-4-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 79987558

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide (CID 79934147) is 5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2ccc(F)c(F)c2)sc1Br.
What is the InChIKey of 5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide?
The InChIKey is LAVZUHHHNBRXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NOS/c1-6-4-10(18-11(6)13)12(17)16-7-2-3-8(14)9(15)5-7/h2-5H,1H3,(H,16,17).
What are the key properties of 5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide has a molecular weight of 332.17 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79934147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).