5-[2-[[3-(3-fluorophenyl)benzoyl]amino]ethyl]thiophene-2-carboxylic acid

C20H16FNO3S — CID 53328596

IUPAC5-[2-[[3-(3-fluorophenyl)benzoyl]amino]ethyl]thiophene-2-carboxylic acid
SMILESO=C(NCCc1ccc(C(=O)O)s1)c1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C20H16FNO3S/c21-16-6-2-4-14(12-16)13-3-1-5-15(11-13)19(23)22-10-9-17-7-8-18(26-17)20(24)25/h1-8,11-12H,9-10H2,(H,22,23)(H,24,25)
InChIKeyHEVDKJAOSTVICQ-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.22
Rot. Bonds6

About 5-[2-[[3-(3-fluorophenyl)benzoyl]amino]ethyl]thiophene-2-carboxylic acid

5-[2-[[3-(3-fluorophenyl)benzoyl]amino]ethyl]thiophene-2-carboxylic acid (PubChem CID 53328596) has the molecular formula C20H16FNO3S and a molecular weight of 369.42 g/mol. Its IUPAC name is 5-[2-[[3-(3-fluorophenyl)benzoyl]amino]ethyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[[3-(3-fluorophenyl)benzoyl]amino]ethyl]thiophene-2-carboxylic acid
PubChem CID53328596
Molecular FormulaC20H16FNO3S
Molecular Weight369.42 g/mol
Exact Mass369.08
IUPAC Name5-[2-[[3-(3-fluorophenyl)benzoyl]amino]ethyl]thiophene-2-carboxylic acid
SMILESO=C(NCCc1ccc(C(=O)O)s1)c1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C20H16FNO3S/c21-16-6-2-4-14(12-16)13-3-1-5-15(11-13)19(23)22-10-9-17-7-8-18(26-17)20(24)25/h1-8,11-12H,9-10H2,(H,22,23)(H,24,25)
InChIKeyHEVDKJAOSTVICQ-UHFFFAOYSA-N
XLogP4.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[[3-(3-fluorophenyl)benzoyl]amino]ethyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-[[3-(3-fluorophenyl)benzoyl]amino]ethyl]thiophene-2-carboxylic acid (CID 53328596) is 5-[2-[[3-(3-fluorophenyl)benzoyl]amino]ethyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-[[3-(3-fluorophenyl)benzoyl]amino]ethyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-[[3-(3-fluorophenyl)benzoyl]amino]ethyl]thiophene-2-carboxylic acid is O=C(NCCc1ccc(C(=O)O)s1)c1cccc(-c2cccc(F)c2)c1.
What is the InChIKey of 5-[2-[[3-(3-fluorophenyl)benzoyl]amino]ethyl]thiophene-2-carboxylic acid?
The InChIKey is HEVDKJAOSTVICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3S/c21-16-6-2-4-14(12-16)13-3-1-5-15(11-13)19(23)22-10-9-17-7-8-18(26-17)20(24)25/h1-8,11-12H,9-10H2,(H,22,23)(H,24,25).
What are the key properties of 5-[2-[[3-(3-fluorophenyl)benzoyl]amino]ethyl]thiophene-2-carboxylic acid?
5-[2-[[3-(3-fluorophenyl)benzoyl]amino]ethyl]thiophene-2-carboxylic acid has a molecular weight of 369.42 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[3-(3-fluorophenyl)benzoyl]amino]ethyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 53328596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).