5-methyl-2-(2-phenoxypropanoylamino)thiophene-3-carboxylic acid

C15H15NO4S — CID 63616153

IUPAC5-methyl-2-(2-phenoxypropanoylamino)thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)C(C)Oc2ccccc2)s1
InChIInChI=1S/C15H15NO4S/c1-9-8-12(15(18)19)14(21-9)16-13(17)10(2)20-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,16,17)(H,18,19)
InChIKeyOICYUKDHKASPDE-UHFFFAOYSA-N
MW305.35 g/mol
LogP3.16
Rot. Bonds5

About 5-methyl-2-(2-phenoxypropanoylamino)thiophene-3-carboxylic acid

5-methyl-2-(2-phenoxypropanoylamino)thiophene-3-carboxylic acid (PubChem CID 63616153) has the molecular formula C15H15NO4S and a molecular weight of 305.35 g/mol. Its IUPAC name is 5-methyl-2-(2-phenoxypropanoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(2-phenoxypropanoylamino)thiophene-3-carboxylic acid
PubChem CID63616153
Molecular FormulaC15H15NO4S
Molecular Weight305.35 g/mol
Exact Mass305.07
IUPAC Name5-methyl-2-(2-phenoxypropanoylamino)thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)C(C)Oc2ccccc2)s1
InChIInChI=1S/C15H15NO4S/c1-9-8-12(15(18)19)14(21-9)16-13(17)10(2)20-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,16,17)(H,18,19)
InChIKeyOICYUKDHKASPDE-UHFFFAOYSA-N
XLogP3.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-(2-phenoxypropanoylamino)thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-(2-phenoxypropanoylamino)benzoic acid
CID 2925600
N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4812532
2-carboxy-4-[[(2R)-2-phenoxypropanoyl]amino]phenolate
CID 54711881
methyl 2-[2-(3-bromophenoxy)propanoylamino]-5-phenylthiophene-3-carboxylate
CID 2793425
2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107688003
5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylic acid
CID 878338
5-methyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylic acid
CID 63614852
ethyl 5-[(2R)-4,4-dimethylpentan-2-yl]-2-[[(2R)-2-phenoxypropanoyl]amino]thiophene-3-carboxylate
CID 92761468
methyl 5-methyl-2-[2-(3-methyl-4-nitrophenoxy)propanoylamino]thiophene-3-carboxylate
CID 2970651
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4162363

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-phenoxypropanoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 5-methyl-2-(2-phenoxypropanoylamino)thiophene-3-carboxylic acid (CID 63616153) is 5-methyl-2-(2-phenoxypropanoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(2-phenoxypropanoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-(2-phenoxypropanoylamino)thiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(NC(=O)C(C)Oc2ccccc2)s1.
What is the InChIKey of 5-methyl-2-(2-phenoxypropanoylamino)thiophene-3-carboxylic acid?
The InChIKey is OICYUKDHKASPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-9-8-12(15(18)19)14(21-9)16-13(17)10(2)20-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-methyl-2-(2-phenoxypropanoylamino)thiophene-3-carboxylic acid?
5-methyl-2-(2-phenoxypropanoylamino)thiophene-3-carboxylic acid has a molecular weight of 305.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-phenoxypropanoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 63616153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).