(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide

C15H12ClF2NOS — CID 887088

IUPAC(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
SMILESC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H12ClF2NOS/c1-9(21-12-5-2-10(16)3-6-12)15(20)19-14-7-4-11(17)8-13(14)18/h2-9H,1H3,(H,19,20)/t9-/m1/s1
InChIKeyFHFCAGKROYCAGE-SECBINFHSA-N
MW327.78 g/mol
LogP4.74
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide

(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide (PubChem CID 887088) has the molecular formula C15H12ClF2NOS and a molecular weight of 327.78 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
PubChem CID887088
Molecular FormulaC15H12ClF2NOS
Molecular Weight327.78 g/mol
Exact Mass327.03
IUPAC Name(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
SMILESC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H12ClF2NOS/c1-9(21-12-5-2-10(16)3-6-12)15(20)19-14-7-4-11(17)8-13(14)18/h2-9H,1H3,(H,19,20)/t9-/m1/s1
InChIKeyFHFCAGKROYCAGE-SECBINFHSA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43102247
N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2947131
2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 51235630
(2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 9063439
(2R)-N-(2,5-difluorophenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 94157785
2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)propanamide
CID 51235628
(2R)-N-(2,4-difluorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975147
2-(4-chlorophenyl)sulfanyl-N-(2,4-dichlorophenyl)propanamide
CID 2865382
2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide
CID 24556344
2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)propanamide
CID 46619918
(2R)-N-(4-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 9142211
(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2,4-difluorophenyl)propanamide
CID 8985865

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide (CID 887088) is (2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide is C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide?
The InChIKey is FHFCAGKROYCAGE-SECBINFHSA-N. The full InChI is InChI=1S/C15H12ClF2NOS/c1-9(21-12-5-2-10(16)3-6-12)15(20)19-14-7-4-11(17)8-13(14)18/h2-9H,1H3,(H,19,20)/t9-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide?
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide has a molecular weight of 327.78 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 887088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).