5-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]thiophene-2-carboxylic acid

C16H14F3NO3S — CID 120552775

IUPAC5-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]thiophene-2-carboxylic acid
SMILESCC(Cc1ccccc1C(F)(F)F)NC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C16H14F3NO3S/c1-9(8-10-4-2-3-5-11(10)16(17,18)19)20-14(21)12-6-7-13(24-12)15(22)23/h2-7,9H,8H2,1H3,(H,20,21)(H,22,23)
InChIKeyIWUCTSRWWKUEQI-UHFFFAOYSA-N
MW357.35 g/mol
LogP3.83
Rot. Bonds5

About 5-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]thiophene-2-carboxylic acid

5-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]thiophene-2-carboxylic acid (PubChem CID 120552775) has the molecular formula C16H14F3NO3S and a molecular weight of 357.35 g/mol. Its IUPAC name is 5-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]thiophene-2-carboxylic acid
PubChem CID120552775
Molecular FormulaC16H14F3NO3S
Molecular Weight357.35 g/mol
Exact Mass357.06
IUPAC Name5-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]thiophene-2-carboxylic acid
SMILESCC(Cc1ccccc1C(F)(F)F)NC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C16H14F3NO3S/c1-9(8-10-4-2-3-5-11(10)16(17,18)19)20-14(21)12-6-7-13(24-12)15(22)23/h2-7,9H,8H2,1H3,(H,20,21)(H,22,23)
InChIKeyIWUCTSRWWKUEQI-UHFFFAOYSA-N
XLogP3.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]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

5-[1-(2,2,2-trifluoroethoxy)propan-2-ylcarbamoyl]thiophene-2-carboxylic acid
CID 119182927
3-[2-oxo-2-[1-[2-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl]benzoic acid
CID 120552784
5-(5-methylhexan-2-ylcarbamoyl)thiophene-2-carboxylic acid
CID 60721960
2-(methylsulfamoyl)-N-[(2S)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]acetamide
CID 97347801
4-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoylamino]butanoic acid
CID 122009480
2-[3-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]phenoxy]acetic acid
CID 120552782
5-(4-methylsulfanylbutan-2-ylcarbamoyl)thiophene-2-carboxylic acid
CID 115730420
4-(hydroxymethyl)-N-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide
CID 84599637
1-(3-hydroxypentyl)-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 110024617
(2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
CID 95029864
(4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 95359045
(2S)-4-methyl-N-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]morpholine-2-carboxamide
CID 97347258

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]thiophene-2-carboxylic acid (CID 120552775) is 5-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]thiophene-2-carboxylic acid is CC(Cc1ccccc1C(F)(F)F)NC(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]thiophene-2-carboxylic acid?
The InChIKey is IWUCTSRWWKUEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3S/c1-9(8-10-4-2-3-5-11(10)16(17,18)19)20-14(21)12-6-7-13(24-12)15(22)23/h2-7,9H,8H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 5-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]thiophene-2-carboxylic acid?
5-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]thiophene-2-carboxylic acid has a molecular weight of 357.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 120552775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).