N-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide

C14H14BrNOS — CID 31504674

IUPACN-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)c(C)s2)c(Br)c1
InChIInChI=1S/C14H14BrNOS/c1-8-4-5-12(11(15)6-8)16-14(17)13-7-9(2)10(3)18-13/h4-7H,1-3H3,(H,16,17)
InChIKeyHOLUYPDOQNKNDF-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.69
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide

N-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 31504674) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID31504674
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC NameN-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)c(C)s2)c(Br)c1
InChIInChI=1S/C14H14BrNOS/c1-8-4-5-12(11(15)6-8)16-14(17)13-7-9(2)10(3)18-13/h4-7H,1-3H3,(H,16,17)
InChIKeyHOLUYPDOQNKNDF-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-sulfamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65238411
N-(4-bromo-2-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 86983600
N-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62998518
N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31509073
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid
CID 61405863
N-(2-chloro-4-iodophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 47183189
N-(4-chloro-2-iodophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 103766831
1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
CID 108991303
N-(5-bromo-2-cyanophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 104880459
5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid
CID 65237727
N-(2,4-dimethoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31494467
N-(2-bromo-4-methylphenyl)-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 22310643

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide (CID 31504674) is N-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide is Cc1ccc(NC(=O)c2cc(C)c(C)s2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is HOLUYPDOQNKNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-8-4-5-12(11(15)6-8)16-14(17)13-7-9(2)10(3)18-13/h4-7H,1-3H3,(H,16,17).
What are the key properties of N-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide?
N-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 324.24 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 31504674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).