2-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylacetamide

C18H14FNOS — CID 2704744

IUPAC2-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylacetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C18H14FNOS/c19-14-8-10-15(11-9-14)22-12-18(21)20-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,20,21)
InChIKeyNEOBBUXIBVQJEY-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.71
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylacetamide

2-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylacetamide (PubChem CID 2704744) has the molecular formula C18H14FNOS and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylacetamide
PubChem CID2704744
Molecular FormulaC18H14FNOS
Molecular Weight311.38 g/mol
Exact Mass311.08
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylacetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C18H14FNOS/c19-14-8-10-15(11-9-14)22-12-18(21)20-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,20,21)
InChIKeyNEOBBUXIBVQJEY-UHFFFAOYSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(Methylsulfanyl)phenyl]-3-naphthalen-1-ylurea
CID 24819511
N-1-Naphthalenyl-2-(phenylthio)ethanethioamide
CID 3246501
N-(2-fluorophenyl)-2-[(2-methylbenzyl)thio]acetamide
CID 882943
ST032473
CID 588601
Acetamide, N-(1-naphthyl)-2-phenylthio-
CID 532048
N-2-naphthyl-2-(2-thienylthio)acetamide
CID 886920
N-2-biphenylyl-2-[(2-methylbenzyl)thio]acetamide
CID 893736
N-(2-phenylphenyl)-2-phenylsulfanylacetamide
CID 2107916
2-(4-acetamidophenyl)sulfanyl-N-(2-phenylphenyl)acetamide
CID 2124005
2-benzylsulfanyl-N-(2-phenylphenyl)propanamide
CID 2942740
N-(2-Fluoro-phenyl)-N'-naphthalen-1-yl-oxalamide
CID 3220617
2-(2-Amino-phenylsulfanyl)-N-naphthalen-1-yl-acetamide
CID 859481

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylacetamide (CID 2704744) is 2-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylacetamide is O=C(CSc1ccc(F)cc1)Nc1cccc2ccccc12.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylacetamide?
The InChIKey is NEOBBUXIBVQJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNOS/c19-14-8-10-15(11-9-14)22-12-18(21)20-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,20,21).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylacetamide?
2-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylacetamide has a molecular weight of 311.38 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 2704744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).