N-(3-bromophenyl)-3-methylthiophene-2-carboxamide

C12H10BrNOS — CID 3480316

IUPACN-(3-bromophenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H10BrNOS/c1-8-5-6-16-11(8)12(15)14-10-4-2-3-9(13)7-10/h2-7H,1H3,(H,14,15)
InChIKeyCQKUZLXZAHUJHU-UHFFFAOYSA-N
MW296.19 g/mol
LogP4.07
Rot. Bonds2

About N-(3-bromophenyl)-3-methylthiophene-2-carboxamide

N-(3-bromophenyl)-3-methylthiophene-2-carboxamide (PubChem CID 3480316) has the molecular formula C12H10BrNOS and a molecular weight of 296.19 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-methylthiophene-2-carboxamide
PubChem CID3480316
Molecular FormulaC12H10BrNOS
Molecular Weight296.19 g/mol
Exact Mass294.97
IUPAC NameN-(3-bromophenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H10BrNOS/c1-8-5-6-16-11(8)12(15)14-10-4-2-3-9(13)7-10/h2-7H,1H3,(H,14,15)
InChIKeyCQKUZLXZAHUJHU-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide
CID 104938713
N-(3-bromophenyl)-3-phenylthiophene-2-carboxamide
CID 26719142
3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 7900704
N-[3-(cyclopropylcarbamoyl)phenyl]-3-methylthiophene-2-carboxamide
CID 17415846
N-[3-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylthiophene-2-carboxamide
CID 135320550
2-bromo-5-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 113281020
3-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 30388319
1-(3-bromophenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 47031800
N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide
CID 24690358
N-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 55133221
3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide
CID 30694090
N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 27906837

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-bromophenyl)-3-methylthiophene-2-carboxamide (CID 3480316) is N-(3-bromophenyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-methylthiophene-2-carboxamide?
The InChIKey is CQKUZLXZAHUJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNOS/c1-8-5-6-16-11(8)12(15)14-10-4-2-3-9(13)7-10/h2-7H,1H3,(H,14,15).
What are the key properties of N-(3-bromophenyl)-3-methylthiophene-2-carboxamide?
N-(3-bromophenyl)-3-methylthiophene-2-carboxamide has a molecular weight of 296.19 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 3480316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).