2-[3-[1-(2,4-difluorophenyl)propylcarbamoyl]thiophen-2-yl]acetic acid

C16H15F2NO3S — CID 166295823

IUPAC2-[3-[1-(2,4-difluorophenyl)propylcarbamoyl]thiophen-2-yl]acetic acid
SMILESCCC(NC(=O)c1ccsc1CC(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C16H15F2NO3S/c1-2-13(10-4-3-9(17)7-12(10)18)19-16(22)11-5-6-23-14(11)8-15(20)21/h3-7,13H,2,8H2,1H3,(H,19,22)(H,20,21)
InChIKeyLCGOYJGUYVQHBQ-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.53
Rot. Bonds6

About 2-[3-[1-(2,4-difluorophenyl)propylcarbamoyl]thiophen-2-yl]acetic acid

2-[3-[1-(2,4-difluorophenyl)propylcarbamoyl]thiophen-2-yl]acetic acid (PubChem CID 166295823) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-[3-[1-(2,4-difluorophenyl)propylcarbamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[1-(2,4-difluorophenyl)propylcarbamoyl]thiophen-2-yl]acetic acid
PubChem CID166295823
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC Name2-[3-[1-(2,4-difluorophenyl)propylcarbamoyl]thiophen-2-yl]acetic acid
SMILESCCC(NC(=O)c1ccsc1CC(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C16H15F2NO3S/c1-2-13(10-4-3-9(17)7-12(10)18)19-16(22)11-5-6-23-14(11)8-15(20)21/h3-7,13H,2,8H2,1H3,(H,19,22)(H,20,21)
InChIKeyLCGOYJGUYVQHBQ-UHFFFAOYSA-N
XLogP3.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[1-(2,4-difluorophenyl)propylcarbamoyl]thiophen-2-yl]acetic 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

2-amino-N-[1-(2,4-difluorophenyl)propyl]acetamide
CID 119330686
3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide
CID 119330684
2-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methylpentanamide;hydrochloride
CID 119796320
3-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119796287
2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 93032270
N-[(1R)-1-(2,4-difluorophenyl)propyl]-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 71696522
3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride
CID 120611087
1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine
CID 115641478
4-amino-N-[1-(2,4-difluorophenyl)propyl]-3-methoxybutanamide;hydrochloride
CID 120592889
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
N-(2-bromoprop-2-enyl)-1-(2,4-difluorophenyl)propan-1-amine
CID 115717252
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)propyl]-1,3-thiazole-4-carboxamide
CID 120635511

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2,4-difluorophenyl)propylcarbamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[3-[1-(2,4-difluorophenyl)propylcarbamoyl]thiophen-2-yl]acetic acid (CID 166295823) is 2-[3-[1-(2,4-difluorophenyl)propylcarbamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[3-[1-(2,4-difluorophenyl)propylcarbamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[3-[1-(2,4-difluorophenyl)propylcarbamoyl]thiophen-2-yl]acetic acid is CCC(NC(=O)c1ccsc1CC(=O)O)c1ccc(F)cc1F.
What is the InChIKey of 2-[3-[1-(2,4-difluorophenyl)propylcarbamoyl]thiophen-2-yl]acetic acid?
The InChIKey is LCGOYJGUYVQHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c1-2-13(10-4-3-9(17)7-12(10)18)19-16(22)11-5-6-23-14(11)8-15(20)21/h3-7,13H,2,8H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-[3-[1-(2,4-difluorophenyl)propylcarbamoyl]thiophen-2-yl]acetic acid?
2-[3-[1-(2,4-difluorophenyl)propylcarbamoyl]thiophen-2-yl]acetic acid has a molecular weight of 339.36 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2,4-difluorophenyl)propylcarbamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 166295823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).