5-[[2-(4-bromophenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid

C14H12BrNO3S — CID 29031196

IUPAC5-[[2-(4-bromophenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)Cc2ccc(Br)cc2)sc1C(=O)O
InChIInChI=1S/C14H12BrNO3S/c1-8-6-12(20-13(8)14(18)19)16-11(17)7-9-2-4-10(15)5-3-9/h2-6H,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyBYDRHGHWCGTRKC-UHFFFAOYSA-N
MW354.23 g/mol
LogP3.70
Rot. Bonds4

About 5-[[2-(4-bromophenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid

5-[[2-(4-bromophenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid (PubChem CID 29031196) has the molecular formula C14H12BrNO3S and a molecular weight of 354.23 g/mol. Its IUPAC name is 5-[[2-(4-bromophenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(4-bromophenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
PubChem CID29031196
Molecular FormulaC14H12BrNO3S
Molecular Weight354.23 g/mol
Exact Mass352.97
IUPAC Name5-[[2-(4-bromophenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)Cc2ccc(Br)cc2)sc1C(=O)O
InChIInChI=1S/C14H12BrNO3S/c1-8-6-12(20-13(8)14(18)19)16-11(17)7-9-2-4-10(15)5-3-9/h2-6H,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyBYDRHGHWCGTRKC-UHFFFAOYSA-N
XLogP3.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
CID 29045288
5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16792115
5-[[2-(2-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43318106
5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43356625
3-methyl-5-(octanoylamino)thiophene-2-carboxylic acid
CID 43125189
5-[(4-bromo-2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 81368112
5-(3-ethoxypropanoylamino)-3-methylthiophene-2-carboxylic acid
CID 55025442
5-[[4-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43356648
2-(4-bromophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 2268328
2-(4-bromophenyl)-N-(2,4-dimethylphenyl)acetamide
CID 2600129
5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 107986401
3-methyl-5-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]thiophene-2-carboxylic acid
CID 43171264

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-bromophenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[[2-(4-bromophenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid (CID 29031196) is 5-[[2-(4-bromophenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(4-bromophenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[[2-(4-bromophenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid is Cc1cc(NC(=O)Cc2ccc(Br)cc2)sc1C(=O)O.
What is the InChIKey of 5-[[2-(4-bromophenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is BYDRHGHWCGTRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3S/c1-8-6-12(20-13(8)14(18)19)16-11(17)7-9-2-4-10(15)5-3-9/h2-6H,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[[2-(4-bromophenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid?
5-[[2-(4-bromophenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 354.23 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-bromophenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 29031196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).