N-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide

C13H12BrNOS — CID 33142040

IUPACN-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2Br)c(C)s1
InChIInChI=1S/C13H12BrNOS/c1-8-7-10(9(2)17-8)13(16)15-12-6-4-3-5-11(12)14/h3-7H,1-2H3,(H,15,16)
InChIKeyLSNMTCJGSMYZOF-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.38
Rot. Bonds2

About N-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide

N-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide (PubChem CID 33142040) has the molecular formula C13H12BrNOS and a molecular weight of 310.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide
PubChem CID33142040
Molecular FormulaC13H12BrNOS
Molecular Weight310.22 g/mol
Exact Mass308.98
IUPAC NameN-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2Br)c(C)s1
InChIInChI=1S/C13H12BrNOS/c1-8-7-10(9(2)17-8)13(16)15-12-6-4-3-5-11(12)14/h3-7H,1-2H3,(H,15,16)
InChIKeyLSNMTCJGSMYZOF-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

2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid
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N-(2-benzylphenyl)-2,5-dimethylthiophene-3-carboxamide
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2,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]thiophene-3-carboxamide
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2,5-dibromo-N-(2-bromophenyl)benzamide
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CID 3465386
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(2-bromophenyl)carbamic acid
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N-(2,5-dibromophenyl)-2-methylbenzamide
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2-bromo-N-(2-fluoro-3-methylphenyl)benzamide
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CID 104623080

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide (CID 33142040) is N-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2Br)c(C)s1.
What is the InChIKey of N-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is LSNMTCJGSMYZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNOS/c1-8-7-10(9(2)17-8)13(16)15-12-6-4-3-5-11(12)14/h3-7H,1-2H3,(H,15,16).
What are the key properties of N-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide?
N-(2-bromophenyl)-2,5-dimethylthiophene-3-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-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 33142040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).