N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide

C18H13F2NOS — CID 39922404

IUPACN-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide
SMILESO=C(CSc1cccc2ccccc12)Nc1ccc(F)cc1F
InChIInChI=1S/C18H13F2NOS/c19-13-8-9-16(15(20)10-13)21-18(22)11-23-17-7-3-5-12-4-1-2-6-14(12)17/h1-10H,11H2,(H,21,22)
InChIKeyLBLNUWVZJXKVFU-UHFFFAOYSA-N
MW329.37 g/mol
LogP4.85
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide

N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide (PubChem CID 39922404) has the molecular formula C18H13F2NOS and a molecular weight of 329.37 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide
PubChem CID39922404
Molecular FormulaC18H13F2NOS
Molecular Weight329.37 g/mol
Exact Mass329.07
IUPAC NameN-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide
SMILESO=C(CSc1cccc2ccccc12)Nc1ccc(F)cc1F
InChIInChI=1S/C18H13F2NOS/c19-13-8-9-16(15(20)10-13)21-18(22)11-23-17-7-3-5-12-4-1-2-6-14(12)17/h1-10H,11H2,(H,21,22)
InChIKeyLBLNUWVZJXKVFU-UHFFFAOYSA-N
XLogP4.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide
CID 4608475
N-(2,4-difluorophenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide
CID 20864343
N-(2,4-difluorophenyl)-2-quinazolin-2-ylsulfanylacetamide
CID 5142642
N-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 3948917
N-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16520358
2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 43249156
N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 43345463
N-(2-bromo-4,5-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 126178248
N-(2,4-difluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4673947
N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 26683495
N'-[2-(2,4-difluorophenyl)sulfanylacetyl]-2-naphthalen-1-ylacetohydrazide
CID 41264220
2-(2-benzylsulfanylanilino)-N-(2,4-difluorophenyl)acetamide
CID 16576531

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide (CID 39922404) is N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide is O=C(CSc1cccc2ccccc12)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide?
The InChIKey is LBLNUWVZJXKVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NOS/c19-13-8-9-16(15(20)10-13)21-18(22)11-23-17-7-3-5-12-4-1-2-6-14(12)17/h1-10H,11H2,(H,21,22).
What are the key properties of N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide?
N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide has a molecular weight of 329.37 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide is sourced from PubChem (CID 39922404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).