4-[2-(2-fluoro-4-propan-2-yloxyanilino)-2-oxoethyl]thiophene-2-carboxylic acid

C16H16FNO4S — CID 166289591

IUPAC4-[2-(2-fluoro-4-propan-2-yloxyanilino)-2-oxoethyl]thiophene-2-carboxylic acid
SMILESCC(C)Oc1ccc(NC(=O)Cc2csc(C(=O)O)c2)c(F)c1
InChIInChI=1S/C16H16FNO4S/c1-9(2)22-11-3-4-13(12(17)7-11)18-15(19)6-10-5-14(16(20)21)23-8-10/h3-5,7-9H,6H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMIEMOCOUEUBIFR-UHFFFAOYSA-N
MW337.37 g/mol
LogP3.55
Rot. Bonds6

About 4-[2-(2-fluoro-4-propan-2-yloxyanilino)-2-oxoethyl]thiophene-2-carboxylic acid

4-[2-(2-fluoro-4-propan-2-yloxyanilino)-2-oxoethyl]thiophene-2-carboxylic acid (PubChem CID 166289591) has the molecular formula C16H16FNO4S and a molecular weight of 337.37 g/mol. Its IUPAC name is 4-[2-(2-fluoro-4-propan-2-yloxyanilino)-2-oxoethyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-fluoro-4-propan-2-yloxyanilino)-2-oxoethyl]thiophene-2-carboxylic acid
PubChem CID166289591
Molecular FormulaC16H16FNO4S
Molecular Weight337.37 g/mol
Exact Mass337.08
IUPAC Name4-[2-(2-fluoro-4-propan-2-yloxyanilino)-2-oxoethyl]thiophene-2-carboxylic acid
SMILESCC(C)Oc1ccc(NC(=O)Cc2csc(C(=O)O)c2)c(F)c1
InChIInChI=1S/C16H16FNO4S/c1-9(2)22-11-3-4-13(12(17)7-11)18-15(19)6-10-5-14(16(20)21)23-8-10/h3-5,7-9H,6H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMIEMOCOUEUBIFR-UHFFFAOYSA-N
XLogP3.55
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(2-fluoro-4-propan-2-yloxyanilino)-2-oxoethyl]thiophene-2-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

4-[2-(4-hydroxy-2-propan-2-yloxyanilino)-2-oxoethyl]thiophene-2-carboxylic acid
CID 166289725
2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119308646
(2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide
CID 119308643
2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylpentanamide
CID 119757908
2-(2-aminoethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120627670
3-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122078377
N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111113108
4-[(2-methylpropanoylamino)methyl]thiophene-2-carboxylic acid
CID 84691257
N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119308648
(2R)-N-tert-butyl-2-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]propanamide
CID 95300771
(2S,5R)-5-(aminomethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120790571
3-fluoro-4-[(2-phenylacetyl)amino]benzoic acid
CID 63190262

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluoro-4-propan-2-yloxyanilino)-2-oxoethyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[2-(2-fluoro-4-propan-2-yloxyanilino)-2-oxoethyl]thiophene-2-carboxylic acid (CID 166289591) is 4-[2-(2-fluoro-4-propan-2-yloxyanilino)-2-oxoethyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-(2-fluoro-4-propan-2-yloxyanilino)-2-oxoethyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-(2-fluoro-4-propan-2-yloxyanilino)-2-oxoethyl]thiophene-2-carboxylic acid is CC(C)Oc1ccc(NC(=O)Cc2csc(C(=O)O)c2)c(F)c1.
What is the InChIKey of 4-[2-(2-fluoro-4-propan-2-yloxyanilino)-2-oxoethyl]thiophene-2-carboxylic acid?
The InChIKey is MIEMOCOUEUBIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4S/c1-9(2)22-11-3-4-13(12(17)7-11)18-15(19)6-10-5-14(16(20)21)23-8-10/h3-5,7-9H,6H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-[2-(2-fluoro-4-propan-2-yloxyanilino)-2-oxoethyl]thiophene-2-carboxylic acid?
4-[2-(2-fluoro-4-propan-2-yloxyanilino)-2-oxoethyl]thiophene-2-carboxylic acid has a molecular weight of 337.37 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluoro-4-propan-2-yloxyanilino)-2-oxoethyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 166289591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).