5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide

C12H8Br2ClNOS — CID 79990693

IUPAC5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Br)ccc2Cl)sc1Br
InChIInChI=1S/C12H8Br2ClNOS/c1-6-4-10(18-11(6)14)12(17)16-9-5-7(13)2-3-8(9)15/h2-5H,1H3,(H,16,17)
InChIKeyUJPXDACSIOTUDF-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.49
Rot. Bonds2

About 5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide

5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide (PubChem CID 79990693) has the molecular formula C12H8Br2ClNOS and a molecular weight of 409.53 g/mol. Its IUPAC name is 5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide
PubChem CID79990693
Molecular FormulaC12H8Br2ClNOS
Molecular Weight409.53 g/mol
Exact Mass406.84
IUPAC Name5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Br)ccc2Cl)sc1Br
InChIInChI=1S/C12H8Br2ClNOS/c1-6-4-10(18-11(6)14)12(17)16-9-5-7(13)2-3-8(9)15/h2-5H,1H3,(H,16,17)
InChIKeyUJPXDACSIOTUDF-UHFFFAOYSA-N
XLogP5.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62998518
5-bromo-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 79981101
5-bromo-N-(4-bromo-2-nitrophenyl)-4-methylthiophene-2-carboxamide
CID 79986830
N-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 55133221
2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-4-chlorobenzoic acid
CID 79981518
5-bromo-N-(8-chloroquinolin-5-yl)-4-methylthiophene-2-carboxamide
CID 79988116
N-(5-bromo-2-chlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 62908077
5-bromo-N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylthiophene-2-carboxamide
CID 107809904
N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976427
5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 79990193
5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide
CID 79989758
N-(5-bromo-2-chlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 63531172

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide (CID 79990693) is 5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2cc(Br)ccc2Cl)sc1Br.
What is the InChIKey of 5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide?
The InChIKey is UJPXDACSIOTUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2ClNOS/c1-6-4-10(18-11(6)14)12(17)16-9-5-7(13)2-3-8(9)15/h2-5H,1H3,(H,16,17).
What are the key properties of 5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79990693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).