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

C18H13F2NOS — CID 977328

IUPACN-(2,4-difluorophenyl)-2-naphthalen-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2c1)Nc1ccc(F)cc1F
InChIInChI=1S/C18H13F2NOS/c19-14-6-8-17(16(20)10-14)21-18(22)11-23-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,21,22)
InChIKeyUEHCQPJHJCVKRP-UHFFFAOYSA-N
MW329.37 g/mol
LogP4.85
Rot. Bonds4

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

N-(2,4-difluorophenyl)-2-naphthalen-2-ylsulfanylacetamide (PubChem CID 977328) has the molecular formula C18H13F2NOS and a molecular weight of 329.37 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-naphthalen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-naphthalen-2-ylsulfanylacetamide
PubChem CID977328
Molecular FormulaC18H13F2NOS
Molecular Weight329.37 g/mol
Exact Mass329.07
IUPAC NameN-(2,4-difluorophenyl)-2-naphthalen-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2c1)Nc1ccc(F)cc1F
InChIInChI=1S/C18H13F2NOS/c19-14-6-8-17(16(20)10-14)21-18(22)11-23-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,21,22)
InChIKeyUEHCQPJHJCVKRP-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-fluorophenyl)-2-[(2-methylbenzyl)thio]acetamide
CID 882943
N-naphthalen-2-yl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
CID 1342005
Acetamide, N-(1-naphthyl)-2-phenylthio-
CID 532048
N-(2-phenylphenyl)-2-phenylsulfanylacetamide
CID 2107916
2-(2-Amino-phenylsulfanyl)-N-naphthalen-1-yl-acetamide
CID 859481
2-((4-fluorophenyl)thio)-N-(naphthalen-1-yl)acetamide
CID 2704744
N-(biphenyl-2-yl)-2-[(4-methylphenyl)sulfanyl]propanamide
CID 2948169
2-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-N-(naphthalen-2-yl)acetamide
CID 1116758
N-(4-chlorophenyl)-2-(naphthalen-2-ylsulfanyl)acetamide
CID 4560101
N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfanyl]acetamide
CID 738707
N-(2-fluorophenyl)-2-[(4-methylphenyl)sulfanyl]acetamide
CID 882556
N-(2,4-difluorophenyl)-2-[(2-methylbenzyl)sulfanyl]acetamide
CID 1311147

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-naphthalen-2-ylsulfanylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-naphthalen-2-ylsulfanylacetamide (CID 977328) is N-(2,4-difluorophenyl)-2-naphthalen-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-naphthalen-2-ylsulfanylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-naphthalen-2-ylsulfanylacetamide is O=C(CSc1ccc2ccccc2c1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-naphthalen-2-ylsulfanylacetamide?
The InChIKey is UEHCQPJHJCVKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NOS/c19-14-6-8-17(16(20)10-14)21-18(22)11-23-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,21,22).
What are the key properties of N-(2,4-difluorophenyl)-2-naphthalen-2-ylsulfanylacetamide?
N-(2,4-difluorophenyl)-2-naphthalen-2-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-2-ylsulfanylacetamide is sourced from PubChem (CID 977328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).