2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide

C14H14ClNOS — CID 78784198

IUPAC2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1cccc2cccc(Cl)c12
InChIInChI=1S/C14H14ClNOS/c1-16(2)13(17)9-18-12-8-4-6-10-5-3-7-11(15)14(10)12/h3-8H,9H2,1-2H3
InChIKeySQYOTUUURPGLGW-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.67
Rot. Bonds3

About 2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide

2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide (PubChem CID 78784198) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide
PubChem CID78784198
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1cccc2cccc(Cl)c12
InChIInChI=1S/C14H14ClNOS/c1-16(2)13(17)9-18-12-8-4-6-10-5-3-7-11(15)14(10)12/h3-8H,9H2,1-2H3
InChIKeySQYOTUUURPGLGW-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanyl-N-methylacetamide;hydrochloride
CID 119581746
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 9417530
2-(8-chloronaphthalen-1-yl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441556
2-(8-chloronaphthalen-1-yl)sulfanyl-N-methyl-N-[(2-nitrophenyl)methyl]acetamide
CID 39141553
3-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 29331419
2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide
CID 4163623
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 3393870
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-ethylpyrazol-3-yl)acetamide
CID 9168666
2-(8-chloronaphthalen-1-yl)sulfanyl-1-(3-methylpyrrolidin-1-yl)ethanone
CID 86877651
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 51144283

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide (CID 78784198) is 2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide is CN(C)C(=O)CSc1cccc2cccc(Cl)c12.
What is the InChIKey of 2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide?
The InChIKey is SQYOTUUURPGLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-16(2)13(17)9-18-12-8-4-6-10-5-3-7-11(15)14(10)12/h3-8H,9H2,1-2H3.
What are the key properties of 2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide?
2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide has a molecular weight of 279.79 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide is sourced from PubChem (CID 78784198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).