2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide

C19H15Cl2NOS — CID 2679594

IUPAC2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
SMILESO=C(CSc1cccc2cccc(Cl)c12)NCc1ccccc1Cl
InChIInChI=1S/C19H15Cl2NOS/c20-15-8-2-1-5-14(15)11-22-18(23)12-24-17-10-4-7-13-6-3-9-16(21)19(13)17/h1-10H,11-12H2,(H,22,23)
InChIKeyMWWTYKVKIUDGGT-UHFFFAOYSA-N
MW376.31 g/mol
LogP5.56
Rot. Bonds5

About 2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide

2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 2679594) has the molecular formula C19H15Cl2NOS and a molecular weight of 376.31 g/mol. Its IUPAC name is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID2679594
Molecular FormulaC19H15Cl2NOS
Molecular Weight376.31 g/mol
Exact Mass375.03
IUPAC Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
SMILESO=C(CSc1cccc2cccc(Cl)c12)NCc1ccccc1Cl
InChIInChI=1S/C19H15Cl2NOS/c20-15-8-2-1-5-14(15)11-22-18(23)12-24-17-10-4-7-13-6-3-9-16(21)19(13)17/h1-10H,11-12H2,(H,22,23)
InChIKeyMWWTYKVKIUDGGT-UHFFFAOYSA-N
XLogP5.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.31
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide
CID 4163623
N-(1H-benzimidazol-2-ylmethyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 112791105
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[3-(methylamino)propyl]acetamide
CID 119430016
N-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide
CID 9209761
2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 43305842
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 31136930
N-[(2-chlorophenyl)methyl]-2-quinolin-2-ylsulfanylacetamide
CID 7755233
N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenyl)sulfanylacetamide
CID 9046111
2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 47003835
2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 2342913
N-[4-[[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 30785207
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-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide (CID 2679594) is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide is O=C(CSc1cccc2cccc(Cl)c12)NCc1ccccc1Cl.
What is the InChIKey of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is MWWTYKVKIUDGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NOS/c20-15-8-2-1-5-14(15)11-22-18(23)12-24-17-10-4-7-13-6-3-9-16(21)19(13)17/h1-10H,11-12H2,(H,22,23).
What are the key properties of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide?
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 376.31 g/mol, XLogP of 5.56, 5 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-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 2679594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).