N-[4-(difluoromethoxy)phenyl]-2-naphthalen-2-ylsulfanylacetamide

C19H15F2NO2S — CID 9405195

IUPACN-[4-(difluoromethoxy)phenyl]-2-naphthalen-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2c1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H15F2NO2S/c20-19(21)24-16-8-6-15(7-9-16)22-18(23)12-25-17-10-5-13-3-1-2-4-14(13)11-17/h1-11,19H,12H2,(H,22,23)
InChIKeyZOWDEGONYAEAQE-UHFFFAOYSA-N
MW359.40 g/mol
LogP5.17
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-2-naphthalen-2-ylsulfanylacetamide

N-[4-(difluoromethoxy)phenyl]-2-naphthalen-2-ylsulfanylacetamide (PubChem CID 9405195) has the molecular formula C19H15F2NO2S and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-naphthalen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-naphthalen-2-ylsulfanylacetamide
PubChem CID9405195
Molecular FormulaC19H15F2NO2S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-naphthalen-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2c1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H15F2NO2S/c20-19(21)24-16-8-6-15(7-9-16)22-18(23)12-25-17-10-5-13-3-1-2-4-14(13)11-17/h1-11,19H,12H2,(H,22,23)
InChIKeyZOWDEGONYAEAQE-UHFFFAOYSA-N
XLogP5.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.40
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-naphthalen-2-ylsulfanylacetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-naphthalen-2-ylsulfanylacetamide (CID 9405195) is N-[4-(difluoromethoxy)phenyl]-2-naphthalen-2-ylsulfanylacetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-naphthalen-2-ylsulfanylacetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-naphthalen-2-ylsulfanylacetamide is O=C(CSc1ccc2ccccc2c1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-naphthalen-2-ylsulfanylacetamide?
The InChIKey is ZOWDEGONYAEAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO2S/c20-19(21)24-16-8-6-15(7-9-16)22-18(23)12-25-17-10-5-13-3-1-2-4-14(13)11-17/h1-11,19H,12H2,(H,22,23).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-naphthalen-2-ylsulfanylacetamide?
N-[4-(difluoromethoxy)phenyl]-2-naphthalen-2-ylsulfanylacetamide has a molecular weight of 359.40 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-naphthalen-2-ylsulfanylacetamide is sourced from PubChem (CID 9405195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).