2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide

C18H13F2NOS — CID 7736930

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide
SMILESO=C(CSc1ccc(F)c(F)c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H13F2NOS/c19-16-8-7-15(10-17(16)20)23-11-18(22)21-14-6-5-12-3-1-2-4-13(12)9-14/h1-10H,11H2,(H,21,22)
InChIKeyDDNZAIPKQVBJPC-UHFFFAOYSA-N
MW329.37 g/mol
LogP4.85
Rot. Bonds4

About 2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide

2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide (PubChem CID 7736930) has the molecular formula C18H13F2NOS and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide
PubChem CID7736930
Molecular FormulaC18H13F2NOS
Molecular Weight329.37 g/mol
Exact Mass329.07
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide
SMILESO=C(CSc1ccc(F)c(F)c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H13F2NOS/c19-16-8-7-15(10-17(16)20)23-11-18(22)21-14-6-5-12-3-1-2-4-13(12)9-14/h1-10H,11H2,(H,21,22)
InChIKeyDDNZAIPKQVBJPC-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-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
2-fluoro-N-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22779257
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 43345163
N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 9055593
4-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786345
N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500878
N-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 55539737
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-naphthalen-2-ylsulfanylacetamide
CID 7402808
3-[(2-naphthalen-2-ylsulfanylacetyl)amino]benzoic acid
CID 45425864
2-(3,4-difluorophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 7737032
(E)-4-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22786135
2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 2225782

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide (CID 7736930) is 2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide is O=C(CSc1ccc(F)c(F)c1)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide?
The InChIKey is DDNZAIPKQVBJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NOS/c19-16-8-7-15(10-17(16)20)23-11-18(22)21-14-6-5-12-3-1-2-4-13(12)9-14/h1-10H,11H2,(H,21,22).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide?
2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide 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 2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 7736930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).