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

Name: 2-[3-(4-fluorophenyl)propanoylamino]-5-methylthiophene-3-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₄FNO₃S — CID 63614206

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	2-[3-(4-fluorophenyl)propanoylamino]-5-methylthiophene-3-carboxylic acid
PubChem CID	63614206
Molecular Formula	C₁₅H₁₄FNO₃S
Molecular Weight	307.35 g/mol
Exact Mass	307.07
IUPAC Name	2-[3-(4-fluorophenyl)propanoylamino]-5-methylthiophene-3-carboxylic acid
SMILES	Cc1cc(C(=O)O)c(NC(=O)CCc2ccc(F)cc2)s1
InChI	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)
InChIKey	RYHXBRPWCBKNLW-UHFFFAOYSA-N
XLogP	3.47
TPSA	66.40 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.35
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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).

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Sources

PubChem CID 63614206 — identifiers, structure, computed properties (public domain)

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