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

C15H15NO4S — CID 29045288

IUPAC5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
SMILESCOc1ccc(CC(=O)Nc2cc(C)c(C(=O)O)s2)cc1
InChIInChI=1S/C15H15NO4S/c1-9-7-13(21-14(9)15(18)19)16-12(17)8-10-3-5-11(20-2)6-4-10/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyOGXJZEYOLVUYLM-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.94
Rot. Bonds5

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

5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid (PubChem CID 29045288) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
PubChem CID29045288
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
SMILESCOc1ccc(CC(=O)Nc2cc(C)c(C(=O)O)s2)cc1
InChIInChI=1S/C15H15NO4S/c1-9-7-13(21-14(9)15(18)19)16-12(17)8-10-3-5-11(20-2)6-4-10/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyOGXJZEYOLVUYLM-UHFFFAOYSA-N
XLogP2.94
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(4-bromophenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
CID 29031196
5-[[2-(2-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43318106
3-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]thiophene-2-carboxylic acid
CID 43356581
5-[[4-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43356648
ethyl 5-[[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 30733791
5-(3-ethoxypropanoylamino)-3-methylthiophene-2-carboxylic acid
CID 55025442
N-(4-amino-2,6-dimethylphenyl)-2-(4-methoxyphenyl)acetamide
CID 79993432
5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43356625
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8797725
3-methyl-5-(octanoylamino)thiophene-2-carboxylic acid
CID 43125189
ethyl 5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate
CID 41320597
N-(4,5-dimethylthiophen-2-yl)-4-methoxybenzamide
CID 1382571

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid (CID 29045288) is 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid is COc1ccc(CC(=O)Nc2cc(C)c(C(=O)O)s2)cc1.
What is the InChIKey of 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is OGXJZEYOLVUYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-9-7-13(21-14(9)15(18)19)16-12(17)8-10-3-5-11(20-2)6-4-10/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid?
5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 29045288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).