2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide

C17H15ClF3NOS — CID 43876067

IUPAC2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H15ClF3NOS/c1-2-15(24-12-9-7-11(18)8-10-12)16(23)22-14-6-4-3-5-13(14)17(19,20)21/h3-10,15H,2H2,1H3,(H,22,23)
InChIKeyHEGFQMUNVXCSRB-UHFFFAOYSA-N
MW373.83 g/mol
LogP5.87
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide

2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide (PubChem CID 43876067) has the molecular formula C17H15ClF3NOS and a molecular weight of 373.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide
PubChem CID43876067
Molecular FormulaC17H15ClF3NOS
Molecular Weight373.83 g/mol
Exact Mass373.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H15ClF3NOS/c1-2-15(24-12-9-7-11(18)8-10-12)16(23)22-14-6-4-3-5-13(14)17(19,20)21/h3-10,15H,2H2,1H3,(H,22,23)
InChIKeyHEGFQMUNVXCSRB-UHFFFAOYSA-N
XLogP5.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.83
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide 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-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 43916012
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide
CID 18902515
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-ethylsulfanylphenyl)butanamide
CID 92673326
2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-N-(2-methylpropyl)benzamide
CID 46771617
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide
CID 28570718
2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide
CID 132761064
(2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 38020183
2-[3-(butanoylamino)phenyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide
CID 18901651
2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 92672042
2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide
CID 18905971
(2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide
CID 30392493
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide
CID 43905210

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide (CID 43876067) is 2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide is CCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide?
The InChIKey is HEGFQMUNVXCSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NOS/c1-2-15(24-12-9-7-11(18)8-10-12)16(23)22-14-6-4-3-5-13(14)17(19,20)21/h3-10,15H,2H2,1H3,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide?
2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide has a molecular weight of 373.83 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 43876067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).