N-[(3,5-difluorophenyl)methyl]-2-[(R)-(2,4-dimethylphenyl)sulfinyl]acetamide

C17H17F2NO2S — CID 97069827

IUPACN-[(3,5-difluorophenyl)methyl]-2-[(R)-(2,4-dimethylphenyl)sulfinyl]acetamide
SMILESCc1ccc([S@](=O)CC(=O)NCc2cc(F)cc(F)c2)c(C)c1
InChIInChI=1S/C17H17F2NO2S/c1-11-3-4-16(12(2)5-11)23(22)10-17(21)20-9-13-6-14(18)8-15(19)7-13/h3-8H,9-10H2,1-2H3,(H,20,21)/t23-/m1/s1
InChIKeyCDYNSMYMGKENOD-HSZRJFAPSA-N
MW337.39 g/mol
LogP3.01
Rot. Bonds5

About N-[(3,5-difluorophenyl)methyl]-2-[(R)-(2,4-dimethylphenyl)sulfinyl]acetamide

N-[(3,5-difluorophenyl)methyl]-2-[(R)-(2,4-dimethylphenyl)sulfinyl]acetamide (PubChem CID 97069827) has the molecular formula C17H17F2NO2S and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-[(R)-(2,4-dimethylphenyl)sulfinyl]acetamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-[(R)-(2,4-dimethylphenyl)sulfinyl]acetamide
PubChem CID97069827
Molecular FormulaC17H17F2NO2S
Molecular Weight337.39 g/mol
Exact Mass337.09
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-[(R)-(2,4-dimethylphenyl)sulfinyl]acetamide
SMILESCc1ccc([S@](=O)CC(=O)NCc2cc(F)cc(F)c2)c(C)c1
InChIInChI=1S/C17H17F2NO2S/c1-11-3-4-16(12(2)5-11)23(22)10-17(21)20-9-13-6-14(18)8-15(19)7-13/h3-8H,9-10H2,1-2H3,(H,20,21)/t23-/m1/s1
InChIKeyCDYNSMYMGKENOD-HSZRJFAPSA-N
XLogP3.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)sulfinylpentan-2-one
CID 64637633
2-(2-amino-4-methylphenyl)sulfinyl-N-ethylacetamide
CID 81181058
N-[(3-fluoro-4-methylphenyl)methyl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]acetamide
CID 129400196
1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637447
2-[(R)-(2-fluorophenyl)sulfinyl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 97063129
2-(2-fluorophenyl)sulfinyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 71917075
3-[1-[4-(cyanomethyl)phenyl]-5-(2,4-dimethylphenyl)pyrrol-2-yl]-N-[(3,5-difluorophenyl)methyl]propanamide
CID 46099473
1-(3-bromothiophen-2-yl)-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637812
(3,5-difluorophenyl)methylurea
CID 112708056
N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide
CID 58862460
2-(2,5-dimethylphenyl)sulfinyl-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 75513079
2-(4-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide
CID 81193087

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-[(R)-(2,4-dimethylphenyl)sulfinyl]acetamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-[(R)-(2,4-dimethylphenyl)sulfinyl]acetamide (CID 97069827) is N-[(3,5-difluorophenyl)methyl]-2-[(R)-(2,4-dimethylphenyl)sulfinyl]acetamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-[(R)-(2,4-dimethylphenyl)sulfinyl]acetamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-[(R)-(2,4-dimethylphenyl)sulfinyl]acetamide is Cc1ccc([S@](=O)CC(=O)NCc2cc(F)cc(F)c2)c(C)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-[(R)-(2,4-dimethylphenyl)sulfinyl]acetamide?
The InChIKey is CDYNSMYMGKENOD-HSZRJFAPSA-N. The full InChI is InChI=1S/C17H17F2NO2S/c1-11-3-4-16(12(2)5-11)23(22)10-17(21)20-9-13-6-14(18)8-15(19)7-13/h3-8H,9-10H2,1-2H3,(H,20,21)/t23-/m1/s1.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-[(R)-(2,4-dimethylphenyl)sulfinyl]acetamide?
N-[(3,5-difluorophenyl)methyl]-2-[(R)-(2,4-dimethylphenyl)sulfinyl]acetamide has a molecular weight of 337.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-[(R)-(2,4-dimethylphenyl)sulfinyl]acetamide is sourced from PubChem (CID 97069827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).