2-[3-(4-fluorophenyl)propanoylamino]-5-methylthiophene-3-carboxylic acid

C15H14FNO3S — CID 63614206

IUPAC2-[3-(4-fluorophenyl)propanoylamino]-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)CCc2ccc(F)cc2)s1
InChIInChI=1S/C15H14FNO3S/c1-9-8-12(15(19)20)14(21-9)17-13(18)7-4-10-2-5-11(16)6-3-10/h2-3,5-6,8H,4,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyRYHXBRPWCBKNLW-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.47
Rot. Bonds5

About 2-[3-(4-fluorophenyl)propanoylamino]-5-methylthiophene-3-carboxylic acid

2-[3-(4-fluorophenyl)propanoylamino]-5-methylthiophene-3-carboxylic acid (PubChem CID 63614206) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)propanoylamino]-5-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)propanoylamino]-5-methylthiophene-3-carboxylic acid
PubChem CID63614206
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Name2-[3-(4-fluorophenyl)propanoylamino]-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)CCc2ccc(F)cc2)s1
InChIInChI=1S/C15H14FNO3S/c1-9-8-12(15(19)20)14(21-9)17-13(18)7-4-10-2-5-11(16)6-3-10/h2-3,5-6,8H,4,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyRYHXBRPWCBKNLW-UHFFFAOYSA-N
XLogP3.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(4-fluorophenyl)propanoylamino]-5-methylthiophene-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

2-[[6-[(3-carboxy-5-methylthiophen-2-yl)amino]-6-oxohexanoyl]amino]-5-methylthiophene-3-carboxylic acid
CID 24859424
2-(hexanoylamino)-5-methylthiophene-3-carboxylic acid
CID 63615671
2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-methylthiophene-3-carboxylic acid
CID 63616145
2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-5-methylthiophene-3-carboxylic acid
CID 28858811
2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid
CID 63174643
2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid
CID 63617341
4-(2,5-dimethylthiophen-3-yl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9416232
2-(methoxycarbonylamino)-5-methylthiophene-3-carboxylic acid
CID 63617172
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid
CID 28858761
5-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]thiophene-3-carboxylic acid
CID 63615838
2-[3-(3-chloro-4-methylphenyl)propanoylamino]thiophene-3-carboxylic acid
CID 43357356
5-methyl-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]thiophene-3-carboxylic acid
CID 63172490

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)propanoylamino]-5-methylthiophene-3-carboxylic acid?
The IUPAC name of 2-[3-(4-fluorophenyl)propanoylamino]-5-methylthiophene-3-carboxylic acid (CID 63614206) is 2-[3-(4-fluorophenyl)propanoylamino]-5-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[3-(4-fluorophenyl)propanoylamino]-5-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[3-(4-fluorophenyl)propanoylamino]-5-methylthiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(NC(=O)CCc2ccc(F)cc2)s1.
What is the InChIKey of 2-[3-(4-fluorophenyl)propanoylamino]-5-methylthiophene-3-carboxylic acid?
The InChIKey is RYHXBRPWCBKNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c1-9-8-12(15(19)20)14(21-9)17-13(18)7-4-10-2-5-11(16)6-3-10/h2-3,5-6,8H,4,7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[3-(4-fluorophenyl)propanoylamino]-5-methylthiophene-3-carboxylic acid?
2-[3-(4-fluorophenyl)propanoylamino]-5-methylthiophene-3-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)propanoylamino]-5-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 63614206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).