5-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide

C19H16BrNO3S — CID 38408482

IUPAC5-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)s2)c(OC)c1
InChIInChI=1S/C19H16BrNO3S/c1-23-14-7-8-15(16(11-14)24-2)21-19(22)18-10-9-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
InChIKeyPJIZFJWEHYEKDR-UHFFFAOYSA-N
MW418.31 g/mol
LogP5.45
Rot. Bonds5

About 5-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide

5-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide (PubChem CID 38408482) has the molecular formula C19H16BrNO3S and a molecular weight of 418.31 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
PubChem CID38408482
Molecular FormulaC19H16BrNO3S
Molecular Weight418.31 g/mol
Exact Mass417.00
IUPAC Name5-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)s2)c(OC)c1
InChIInChI=1S/C19H16BrNO3S/c1-23-14-7-8-15(16(11-14)24-2)21-19(22)18-10-9-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
InChIKeyPJIZFJWEHYEKDR-UHFFFAOYSA-N
XLogP5.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.31
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
CID 7930911
N-hydroxy-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 58657217
N-(2,4-dimethoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31494467
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 59761459
4-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 110860596
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
methyl 5-[(2-methoxy-4-methylphenyl)carbamoyl]thiophene-2-carboxylate
CID 87028686
2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 103852740
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate
CID 31772594
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427832
N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 61074376
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 30000054

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide (CID 38408482) is 5-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide is COc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)s2)c(OC)c1.
What is the InChIKey of 5-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide?
The InChIKey is PJIZFJWEHYEKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO3S/c1-23-14-7-8-15(16(11-14)24-2)21-19(22)18-10-9-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22).
What are the key properties of 5-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide?
5-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide has a molecular weight of 418.31 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 38408482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).