N-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide

C13H12BrNOS — CID 104938713

IUPACN-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2sccc2C)c1
InChIInChI=1S/C13H12BrNOS/c1-8-5-10(14)7-11(6-8)15-13(16)12-9(2)3-4-17-12/h3-7H,1-2H3,(H,15,16)
InChIKeyCZTBYDPJFOZSLX-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.38
Rot. Bonds2

About N-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide

N-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide (PubChem CID 104938713) has the molecular formula C13H12BrNOS and a molecular weight of 310.22 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide
PubChem CID104938713
Molecular FormulaC13H12BrNOS
Molecular Weight310.22 g/mol
Exact Mass308.98
IUPAC NameN-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2sccc2C)c1
InChIInChI=1S/C13H12BrNOS/c1-8-5-10(14)7-11(6-8)15-13(16)12-9(2)3-4-17-12/h3-7H,1-2H3,(H,15,16)
InChIKeyCZTBYDPJFOZSLX-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-3-methylthiophene-2-carboxamide
CID 3480316
N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 27906837
N-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103526991
N-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 55133221
N-(4-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 28739515
2-bromo-5-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 113281020
N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 84542762
N-(4-iodophenyl)-3-methylthiophene-2-carboxamide
CID 7927248
N-(4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 26087540
3-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 30388319
N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide
CID 24690358
3-amino-N-(4-bromo-3,5-dimethylphenyl)thiophene-2-carboxamide
CID 107571089

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide (CID 104938713) is N-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide is Cc1cc(Br)cc(NC(=O)c2sccc2C)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide?
The InChIKey is CZTBYDPJFOZSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNOS/c1-8-5-10(14)7-11(6-8)15-13(16)12-9(2)3-4-17-12/h3-7H,1-2H3,(H,15,16).
What are the key properties of N-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide?
N-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide has a molecular weight of 310.22 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 104938713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).