2-(4-chlorophenyl)sulfanyl-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide

C17H16ClF2NOS — CID 134046656

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C17H16ClF2NOS/c1-11(23-15-7-4-13(18)5-8-15)17(22)21(2)10-12-3-6-14(19)9-16(12)20/h3-9,11H,10H2,1-2H3
InChIKeyUSDSZLSTZZRSLQ-UHFFFAOYSA-N
MW355.84 g/mol
LogP4.76
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide

2-(4-chlorophenyl)sulfanyl-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide (PubChem CID 134046656) has the molecular formula C17H16ClF2NOS and a molecular weight of 355.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
PubChem CID134046656
Molecular FormulaC17H16ClF2NOS
Molecular Weight355.84 g/mol
Exact Mass355.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C17H16ClF2NOS/c1-11(23-15-7-4-13(18)5-8-15)17(22)21(2)10-12-3-6-14(19)9-16(12)20/h3-9,11H,10H2,1-2H3
InChIKeyUSDSZLSTZZRSLQ-UHFFFAOYSA-N
XLogP4.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 107904260
(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide
CID 61173739
N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)sulfanylpropanamide
CID 51174811
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929162
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 887088
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
2-(4-acetamidophenyl)sulfanyl-N-[(3,4-difluorophenyl)methyl]-N-methylpropanamide
CID 55828448
3-amino-N-[(2,4-difluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119703011
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238
N,N'-bis[(2-chloro-4-fluorophenyl)methyl]-N,N'-dimethyloxamide
CID 166179956
2-(4-chlorophenyl)sulfanyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 56509489
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide (CID 134046656) is 2-(4-chlorophenyl)sulfanyl-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide is CC(Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(F)cc1F.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is USDSZLSTZZRSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NOS/c1-11(23-15-7-4-13(18)5-8-15)17(22)21(2)10-12-3-6-14(19)9-16(12)20/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide?
2-(4-chlorophenyl)sulfanyl-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide has a molecular weight of 355.84 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 134046656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).