2-(8-chloronaphthalen-1-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide

C16H18ClNO2S — CID 51144283

IUPAC2-(8-chloronaphthalen-1-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CSc1cccc2cccc(Cl)c12
InChIInChI=1S/C16H18ClNO2S/c1-11(9-20-2)18-15(19)10-21-14-8-4-6-12-5-3-7-13(17)16(12)14/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyDSKRFJHAPZUYCK-UHFFFAOYSA-N
MW323.84 g/mol
LogP3.74
Rot. Bonds6

About 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide

2-(8-chloronaphthalen-1-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 51144283) has the molecular formula C16H18ClNO2S and a molecular weight of 323.84 g/mol. Its IUPAC name is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
PubChem CID51144283
Molecular FormulaC16H18ClNO2S
Molecular Weight323.84 g/mol
Exact Mass323.07
IUPAC Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CSc1cccc2cccc(Cl)c12
InChIInChI=1S/C16H18ClNO2S/c1-11(9-20-2)18-15(19)10-21-14-8-4-6-12-5-3-7-13(17)16(12)14/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyDSKRFJHAPZUYCK-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.84
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide
CID 4163623
N-(1-amino-2-methylpropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 119521795
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[3-(methylamino)propyl]acetamide
CID 119430016
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 2679594
N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide
CID 60624641
2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide
CID 78784198
N-(3-acetamido-2-methylphenyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 134019293
N-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 120507413
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 94805815
2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 3437888
4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide
CID 4788025
N-(1-adamantyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 7945317

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide (CID 51144283) is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CSc1cccc2cccc(Cl)c12.
What is the InChIKey of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is DSKRFJHAPZUYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-11(9-20-2)18-15(19)10-21-14-8-4-6-12-5-3-7-13(17)16(12)14/h3-8,11H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide?
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 323.84 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 51144283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).