2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide

C16H14ClF2NOS — CID 132761064

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C16H14ClF2NOS/c1-2-14(22-11-8-6-10(17)7-9-11)16(21)20-15-12(18)4-3-5-13(15)19/h3-9,14H,2H2,1H3,(H,20,21)
InChIKeyMYFCDNSBUHXVCP-UHFFFAOYSA-N
MW341.81 g/mol
LogP5.13
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide

2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide (PubChem CID 132761064) has the molecular formula C16H14ClF2NOS and a molecular weight of 341.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide
PubChem CID132761064
Molecular FormulaC16H14ClF2NOS
Molecular Weight341.81 g/mol
Exact Mass341.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C16H14ClF2NOS/c1-2-14(22-11-8-6-10(17)7-9-11)16(21)20-15-12(18)4-3-5-13(15)19/h3-9,14H,2H2,1H3,(H,20,21)
InChIKeyMYFCDNSBUHXVCP-UHFFFAOYSA-N
XLogP5.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.81
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 43916012
(2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 92674766
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide
CID 43905210
2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide
CID 43876067
(2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide
CID 30392493
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-ethylsulfanylphenyl)butanamide
CID 92673326
(2R)-N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 38020183
ethyl 3-[[(2R)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzoate
CID 99954695
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide
CID 18275938
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide
CID 28570718
(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
CID 28635750
(2R)-2-(4-chlorophenyl)sulfanylbutanamide
CID 38010728

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide (CID 132761064) is 2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide is CCC(Sc1ccc(Cl)cc1)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide?
The InChIKey is MYFCDNSBUHXVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NOS/c1-2-14(22-11-8-6-10(17)7-9-11)16(21)20-15-12(18)4-3-5-13(15)19/h3-9,14H,2H2,1H3,(H,20,21).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide?
2-(4-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)butanamide has a molecular weight of 341.81 g/mol, XLogP of 5.13, 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-(2,6-difluorophenyl)butanamide is sourced from PubChem (CID 132761064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).