N-(2-benzylphenyl)-2-(2,5-difluorophenyl)sulfanylacetamide

C21H17F2NOS — CID 9045802

IUPACN-(2-benzylphenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
SMILESO=C(CSc1cc(F)ccc1F)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C21H17F2NOS/c22-17-10-11-18(23)20(13-17)26-14-21(25)24-19-9-5-4-8-16(19)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H,24,25)
InChIKeyXTUVDSRSLMGRMX-UHFFFAOYSA-N
MW369.44 g/mol
LogP5.29
Rot. Bonds6

About N-(2-benzylphenyl)-2-(2,5-difluorophenyl)sulfanylacetamide

N-(2-benzylphenyl)-2-(2,5-difluorophenyl)sulfanylacetamide (PubChem CID 9045802) has the molecular formula C21H17F2NOS and a molecular weight of 369.44 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-(2,5-difluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
PubChem CID9045802
Molecular FormulaC21H17F2NOS
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC NameN-(2-benzylphenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
SMILESO=C(CSc1cc(F)ccc1F)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C21H17F2NOS/c22-17-10-11-18(23)20(13-17)26-14-21(25)24-19-9-5-4-8-16(19)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H,24,25)
InChIKeyXTUVDSRSLMGRMX-UHFFFAOYSA-N
XLogP5.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.44
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 43519004
N-(2-benzylphenyl)-2-(2,4-difluorophenoxy)acetamide
CID 31895274
N-(2-benzylphenyl)-2-(4-chloro-2-fluoroanilino)acetamide
CID 9099681
N-(2-benzyl-4-fluorophenyl)-2-hydroxyacetamide
CID 67711823
N-(2-benzylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9377065
[2-(2-benzylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9377062
N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 43345463
2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 43249156
N-(2-benzylphenyl)-3-(2-fluorophenyl)propanamide
CID 9397387
3-(2-benzylanilino)-3-oxopropanoic acid
CID 62230739
(2R)-N-(2-benzylphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
CID 2457506
N-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide
CID 9209761

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-(2,5-difluorophenyl)sulfanylacetamide?
The IUPAC name of N-(2-benzylphenyl)-2-(2,5-difluorophenyl)sulfanylacetamide (CID 9045802) is N-(2-benzylphenyl)-2-(2,5-difluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-(2,5-difluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-benzylphenyl)-2-(2,5-difluorophenyl)sulfanylacetamide is O=C(CSc1cc(F)ccc1F)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-2-(2,5-difluorophenyl)sulfanylacetamide?
The InChIKey is XTUVDSRSLMGRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NOS/c22-17-10-11-18(23)20(13-17)26-14-21(25)24-19-9-5-4-8-16(19)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H,24,25).
What are the key properties of N-(2-benzylphenyl)-2-(2,5-difluorophenyl)sulfanylacetamide?
N-(2-benzylphenyl)-2-(2,5-difluorophenyl)sulfanylacetamide has a molecular weight of 369.44 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-(2,5-difluorophenyl)sulfanylacetamide is sourced from PubChem (CID 9045802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).