4-[(4-fluorobenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid

C19H11F4NO3S — CID 67052333

IUPAC4-[(4-fluorobenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid
SMILESO=C(Nc1csc(-c2ccc(C(F)(F)F)cc2)c1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C19H11F4NO3S/c20-13-7-3-11(4-8-13)17(25)24-14-9-28-16(15(14)18(26)27)10-1-5-12(6-2-10)19(21,22)23/h1-9H,(H,24,25)(H,26,27)
InChIKeyUUWPFAAEQUSVNU-UHFFFAOYSA-N
MW409.36 g/mol
LogP5.52
Rot. Bonds4

About 4-[(4-fluorobenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid

4-[(4-fluorobenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid (PubChem CID 67052333) has the molecular formula C19H11F4NO3S and a molecular weight of 409.36 g/mol. Its IUPAC name is 4-[(4-fluorobenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-fluorobenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid
PubChem CID67052333
Molecular FormulaC19H11F4NO3S
Molecular Weight409.36 g/mol
Exact Mass409.04
IUPAC Name4-[(4-fluorobenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid
SMILESO=C(Nc1csc(-c2ccc(C(F)(F)F)cc2)c1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C19H11F4NO3S/c20-13-7-3-11(4-8-13)17(25)24-14-9-28-16(15(14)18(26)27)10-1-5-12(6-2-10)19(21,22)23/h1-9H,(H,24,25)(H,26,27)
InChIKeyUUWPFAAEQUSVNU-UHFFFAOYSA-N
XLogP5.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.36
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-4-[(4-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 67052256
2-(4-bromophenyl)-4-[[4-(1,1-difluoroethyl)benzoyl]amino]thiophene-3-carboxylic acid
CID 58191425
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
2-(4-bromophenyl)-4-[[4-(dimethylamino)benzoyl]amino]thiophene-3-carboxylic acid
CID 58191570
2-(4-bromophenyl)-4-(2,3-dihydro-1,2,3-benzothiadiazole-5-carbonylamino)thiophene-3-carboxylic acid
CID 123854717
2-(6-chloro-3-pyridinyl)-4-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 88966042
2-(4-bromophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 58191184
4-(2,4-difluorophenyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 67343027
4-[(4-bromobenzoyl)amino]-2-(3-chlorophenyl)thiophene-3-carboxylic acid
CID 67052311
2-(4-cyanophenyl)-4-(2,3-dihydro-1,2,3-benzothiadiazole-5-carbonylamino)thiophene-3-carboxylic acid
CID 123933657
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid
CID 13390039

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorobenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid?
The IUPAC name of 4-[(4-fluorobenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid (CID 67052333) is 4-[(4-fluorobenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 4-[(4-fluorobenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid?
The canonical SMILES for 4-[(4-fluorobenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid is O=C(Nc1csc(-c2ccc(C(F)(F)F)cc2)c1C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorobenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid?
The InChIKey is UUWPFAAEQUSVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F4NO3S/c20-13-7-3-11(4-8-13)17(25)24-14-9-28-16(15(14)18(26)27)10-1-5-12(6-2-10)19(21,22)23/h1-9H,(H,24,25)(H,26,27).
What are the key properties of 4-[(4-fluorobenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid?
4-[(4-fluorobenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid has a molecular weight of 409.36 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorobenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 67052333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).