2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide

C16H15ClFNOS — CID 43916012

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H15ClFNOS/c1-2-15(21-12-9-7-11(17)8-10-12)16(20)19-14-6-4-3-5-13(14)18/h3-10,15H,2H2,1H3,(H,19,20)
InChIKeyWNXURAIQLVIHHE-UHFFFAOYSA-N
MW323.82 g/mol
LogP4.99
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide

2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide (PubChem CID 43916012) has the molecular formula C16H15ClFNOS and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
PubChem CID43916012
Molecular FormulaC16H15ClFNOS
Molecular Weight323.82 g/mol
Exact Mass323.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H15ClFNOS/c1-2-15(21-12-9-7-11(17)8-10-12)16(20)19-14-6-4-3-5-13(14)18/h3-10,15H,2H2,1H3,(H,19,20)
InChIKeyWNXURAIQLVIHHE-UHFFFAOYSA-N
XLogP4.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide
CID 43876067
2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide
CID 132761064
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-ethylsulfanylphenyl)butanamide
CID 92673326
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide
CID 28570718
2-(3-aminophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 18894352
(2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 38020183
2-[2-(4-chlorophenyl)sulfanylbutanoylamino]-N-(2-methylpropyl)benzamide
CID 46771617
2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 92672042
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide
CID 43905210
(2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 92674766
N-(2-fluorophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18906014
(2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide
CID 30392493

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide (CID 43916012) is 2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide is CCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1F.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide?
The InChIKey is WNXURAIQLVIHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNOS/c1-2-15(21-12-9-7-11(17)8-10-12)16(20)19-14-6-4-3-5-13(14)18/h3-10,15H,2H2,1H3,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide?
2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide has a molecular weight of 323.82 g/mol, XLogP of 4.99, 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-fluorophenyl)butanamide is sourced from PubChem (CID 43916012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).