2-[(R)-(4-chlorophenyl)methylsulfinyl]-N-(2,4-difluorophenyl)acetamide

C15H12ClF2NO2S — CID 95599619

IUPAC2-[(R)-(4-chlorophenyl)methylsulfinyl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(C[S@](=O)Cc1ccc(Cl)cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H12ClF2NO2S/c16-11-3-1-10(2-4-11)8-22(21)9-15(20)19-14-6-5-12(17)7-13(14)18/h1-7H,8-9H2,(H,19,20)/t22-/m1/s1
InChIKeyJTXRLBNEUZVBMB-JOCHJYFZSA-N
MW343.78 g/mol
LogP3.51
Rot. Bonds5

About 2-[(R)-(4-chlorophenyl)methylsulfinyl]-N-(2,4-difluorophenyl)acetamide

2-[(R)-(4-chlorophenyl)methylsulfinyl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 95599619) has the molecular formula C15H12ClF2NO2S and a molecular weight of 343.78 g/mol. Its IUPAC name is 2-[(R)-(4-chlorophenyl)methylsulfinyl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(R)-(4-chlorophenyl)methylsulfinyl]-N-(2,4-difluorophenyl)acetamide
PubChem CID95599619
Molecular FormulaC15H12ClF2NO2S
Molecular Weight343.78 g/mol
Exact Mass343.02
IUPAC Name2-[(R)-(4-chlorophenyl)methylsulfinyl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(C[S@](=O)Cc1ccc(Cl)cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H12ClF2NO2S/c16-11-3-1-10(2-4-11)8-22(21)9-15(20)19-14-6-5-12(17)7-13(14)18/h1-7H,8-9H2,(H,19,20)/t22-/m1/s1
InChIKeyJTXRLBNEUZVBMB-JOCHJYFZSA-N
XLogP3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.78
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methylamino]-N-(2,4-difluorophenyl)acetamide
CID 4555124
2-[(4-tert-butylphenyl)methylsulfinyl]-N-(2,4-dichlorophenyl)acetamide
CID 1488229
N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 7961331
4-[[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfinylmethyl]benzoic acid
CID 123106737
N-(2,4-difluorophenyl)-2-[(S)-(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]acetamide
CID 95599370
N-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide
CID 2986647
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide
CID 24792559
4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N,N-dimethylbutanamide
CID 75380083
N-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide
CID 110005569
N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541504
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119688
2-(4-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 884138

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(4-chlorophenyl)methylsulfinyl]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[(R)-(4-chlorophenyl)methylsulfinyl]-N-(2,4-difluorophenyl)acetamide (CID 95599619) is 2-[(R)-(4-chlorophenyl)methylsulfinyl]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(R)-(4-chlorophenyl)methylsulfinyl]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[(R)-(4-chlorophenyl)methylsulfinyl]-N-(2,4-difluorophenyl)acetamide is O=C(C[S@](=O)Cc1ccc(Cl)cc1)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[(R)-(4-chlorophenyl)methylsulfinyl]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is JTXRLBNEUZVBMB-JOCHJYFZSA-N. The full InChI is InChI=1S/C15H12ClF2NO2S/c16-11-3-1-10(2-4-11)8-22(21)9-15(20)19-14-6-5-12(17)7-13(14)18/h1-7H,8-9H2,(H,19,20)/t22-/m1/s1.
What are the key properties of 2-[(R)-(4-chlorophenyl)methylsulfinyl]-N-(2,4-difluorophenyl)acetamide?
2-[(R)-(4-chlorophenyl)methylsulfinyl]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 343.78 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(4-chlorophenyl)methylsulfinyl]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 95599619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).