2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide

C18H14ClNOS — CID 4163623

IUPAC2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide
SMILESO=C(CSc1cccc2cccc(Cl)c12)Nc1ccccc1
InChIInChI=1S/C18H14ClNOS/c19-15-10-4-6-13-7-5-11-16(18(13)15)22-12-17(21)20-14-8-2-1-3-9-14/h1-11H,12H2,(H,20,21)
InChIKeyQFQSQVVPWNSGHQ-UHFFFAOYSA-N
MW327.84 g/mol
LogP5.22
Rot. Bonds4

About 2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide

2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide (PubChem CID 4163623) has the molecular formula C18H14ClNOS and a molecular weight of 327.84 g/mol. Its IUPAC name is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide
PubChem CID4163623
Molecular FormulaC18H14ClNOS
Molecular Weight327.84 g/mol
Exact Mass327.05
IUPAC Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide
SMILESO=C(CSc1cccc2cccc(Cl)c12)Nc1ccccc1
InChIInChI=1S/C18H14ClNOS/c19-15-10-4-6-13-7-5-11-16(18(13)15)22-12-17(21)20-14-8-2-1-3-9-14/h1-11H,12H2,(H,20,21)
InChIKeyQFQSQVVPWNSGHQ-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

4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide
CID 4788025
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 9314399
2-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 32827422
3-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 29331419
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 3393870
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 2679594
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 4531318
N-(3-acetamido-2-methylphenyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 134019293
N-[4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 46439728
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-ethylpyrazol-3-yl)acetamide
CID 9168666
N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922768
N-(1-amino-2-methylpropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 119521795

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide?
The IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide (CID 4163623) is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide is O=C(CSc1cccc2cccc(Cl)c12)Nc1ccccc1.
What is the InChIKey of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide?
The InChIKey is QFQSQVVPWNSGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNOS/c19-15-10-4-6-13-7-5-11-16(18(13)15)22-12-17(21)20-14-8-2-1-3-9-14/h1-11H,12H2,(H,20,21).
What are the key properties of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide?
2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide 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 2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide is sourced from PubChem (CID 4163623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).