(2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide

C16H14ClF2NO2S — CID 9310323

IUPAC(2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(F)c(F)c2)cc1Cl
InChIInChI=1S/C16H14ClF2NO2S/c1-9(23-11-4-5-13(18)14(19)8-11)16(21)20-10-3-6-15(22-2)12(17)7-10/h3-9H,1-2H3,(H,20,21)/t9-/m1/s1
InChIKeyPBLFUHKWTMZVDK-SECBINFHSA-N
MW357.81 g/mol
LogP4.75
Rot. Bonds5

About (2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide

(2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide (PubChem CID 9310323) has the molecular formula C16H14ClF2NO2S and a molecular weight of 357.81 g/mol. Its IUPAC name is (2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
PubChem CID9310323
Molecular FormulaC16H14ClF2NO2S
Molecular Weight357.81 g/mol
Exact Mass357.04
IUPAC Name(2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(F)c(F)c2)cc1Cl
InChIInChI=1S/C16H14ClF2NO2S/c1-9(23-11-4-5-13(18)14(19)8-11)16(21)20-10-3-6-15(22-2)12(17)7-10/h3-9H,1-2H3,(H,20,21)/t9-/m1/s1
InChIKeyPBLFUHKWTMZVDK-SECBINFHSA-N
XLogP4.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.81
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide
CID 8859309
N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 24500478
N-[4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide
CID 23095269
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 24500487
(2R)-N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26373927
(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9055622
(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740662
N-[4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-methylbenzamide
CID 22783140
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 2865350
2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide
CID 47114263
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide
CID 55430557
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 28631688

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide (CID 9310323) is (2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide is COc1ccc(NC(=O)[C@@H](C)Sc2ccc(F)c(F)c2)cc1Cl.
What is the InChIKey of (2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
The InChIKey is PBLFUHKWTMZVDK-SECBINFHSA-N. The full InChI is InChI=1S/C16H14ClF2NO2S/c1-9(23-11-4-5-13(18)14(19)8-11)16(21)20-10-3-6-15(22-2)12(17)7-10/h3-9H,1-2H3,(H,20,21)/t9-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide has a molecular weight of 357.81 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 9310323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).