N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide

C15H13F2NO2S — CID 35042477

IUPACN-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)Nc2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H13F2NO2S/c1-20-13-3-2-4-14(8-13)21-9-15(19)18-12-6-10(16)5-11(17)7-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyNCGZDBFCTMFRIN-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.70
Rot. Bonds5

About N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide

N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide (PubChem CID 35042477) has the molecular formula C15H13F2NO2S and a molecular weight of 309.34 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
PubChem CID35042477
Molecular FormulaC15H13F2NO2S
Molecular Weight309.34 g/mol
Exact Mass309.06
IUPAC NameN-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)Nc2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H13F2NO2S/c1-20-13-3-2-4-14(8-13)21-9-15(19)18-12-6-10(16)5-11(17)7-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyNCGZDBFCTMFRIN-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040661
3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 35042935
N-[3-[(dimethylamino)methyl]-5-methylphenyl]-2-(3-methoxyphenyl)sulfanylacetamide
CID 71908026
2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 35040704
N-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 36553979
N-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040789
N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040719
N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 29031142
2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119503641
N-(5-chloro-2-pyridinyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 47152631
N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 35041592
N-(3-methoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetamide
CID 19316652

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide (CID 35042477) is N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide is COc1cccc(SCC(=O)Nc2cc(F)cc(F)c2)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide?
The InChIKey is NCGZDBFCTMFRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2S/c1-20-13-3-2-4-14(8-13)21-9-15(19)18-12-6-10(16)5-11(17)7-12/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide?
N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide has a molecular weight of 309.34 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 35042477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).