5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide

C12H9BrClNOS — CID 43424548

IUPAC5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide
SMILESCc1ccc(NC(=O)c2csc(Br)c2)c(Cl)c1
InChIInChI=1S/C12H9BrClNOS/c1-7-2-3-10(9(14)4-7)15-12(16)8-5-11(13)17-6-8/h2-6H,1H3,(H,15,16)
InChIKeyKUOCKBIDGMPBFN-UHFFFAOYSA-N
MW330.63 g/mol
LogP4.72
Rot. Bonds2

About 5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide

5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide (PubChem CID 43424548) has the molecular formula C12H9BrClNOS and a molecular weight of 330.63 g/mol. Its IUPAC name is 5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide
PubChem CID43424548
Molecular FormulaC12H9BrClNOS
Molecular Weight330.63 g/mol
Exact Mass328.93
IUPAC Name5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide
SMILESCc1ccc(NC(=O)c2csc(Br)c2)c(Cl)c1
InChIInChI=1S/C12H9BrClNOS/c1-7-2-3-10(9(14)4-7)15-12(16)8-5-11(13)17-6-8/h2-6H,1H3,(H,15,16)
InChIKeyKUOCKBIDGMPBFN-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.63
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-3-carboxamide
CID 43424569
methyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-methylbenzoate
CID 43623715
methyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-chlorobenzoate
CID 47249749
4-amino-3,5-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 82832914
N-(2-chloro-4-methylphenyl)-3-cyanobenzamide
CID 7760531
2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 113255059
5-bromo-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-3-carboxamide
CID 39821287
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
5-bromo-N-(5-bromo-2-chloro-3-pyridinyl)thiophene-3-carboxamide
CID 102979240
N-(2-amino-5-chlorophenyl)-5-bromothiophene-3-carboxamide
CID 107959269
5-bromo-N-[2-chloro-5-(methanesulfonamido)phenyl]thiophene-3-carboxamide
CID 60956126
5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide
CID 43424527

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide (CID 43424548) is 5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide is Cc1ccc(NC(=O)c2csc(Br)c2)c(Cl)c1.
What is the InChIKey of 5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide?
The InChIKey is KUOCKBIDGMPBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNOS/c1-7-2-3-10(9(14)4-7)15-12(16)8-5-11(13)17-6-8/h2-6H,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide?
5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide has a molecular weight of 330.63 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 43424548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).