N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide

C18H14ClNOS — CID 39922768

IUPACN-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide
SMILESO=C(CSc1cccc2ccccc12)Nc1cccc(Cl)c1
InChIInChI=1S/C18H14ClNOS/c19-14-7-4-8-15(11-14)20-18(21)12-22-17-10-3-6-13-5-1-2-9-16(13)17/h1-11H,12H2,(H,20,21)
InChIKeyNXRKLWHDEZYRQT-UHFFFAOYSA-N
MW327.84 g/mol
LogP5.22
Rot. Bonds4

About N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide

N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide (PubChem CID 39922768) has the molecular formula C18H14ClNOS and a molecular weight of 327.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide
PubChem CID39922768
Molecular FormulaC18H14ClNOS
Molecular Weight327.84 g/mol
Exact Mass327.05
IUPAC NameN-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide
SMILESO=C(CSc1cccc2ccccc12)Nc1cccc(Cl)c1
InChIInChI=1S/C18H14ClNOS/c19-14-7-4-8-15(11-14)20-18(21)12-22-17-10-3-6-13-5-1-2-9-16(13)17/h1-11H,12H2,(H,20,21)
InChIKeyNXRKLWHDEZYRQT-UHFFFAOYSA-N
XLogP5.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.84
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 4237422
N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922104
2-(4-amino-2-chlorophenyl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 43305569
N-(3-chlorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467403
2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3-chlorophenyl)acetamide
CID 4581043
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 79142033
2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide
CID 4163623
N-(3-chlorophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902406
N-(3-chlorophenyl)-2-naphthalen-1-yloxyacetamide
CID 954547
N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 9055593
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-chlorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide (CID 39922768) is N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide is O=C(CSc1cccc2ccccc12)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide?
The InChIKey is NXRKLWHDEZYRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNOS/c19-14-7-4-8-15(11-14)20-18(21)12-22-17-10-3-6-13-5-1-2-9-16(13)17/h1-11H,12H2,(H,20,21).
What are the key properties of N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide?
N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide has a molecular weight of 327.84 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide is sourced from PubChem (CID 39922768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).