N-[(2-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide

C20H18ClNOS — CID 7535734

IUPACN-[(2-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide
SMILESCN(Cc1ccccc1Cl)C(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C20H18ClNOS/c1-22(13-17-8-4-5-9-19(17)21)20(23)14-24-18-11-10-15-6-2-3-7-16(15)12-18/h2-12H,13-14H2,1H3
InChIKeyUSPUBQKGOAJKAV-UHFFFAOYSA-N
MW355.89 g/mol
LogP5.24
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide

N-[(2-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide (PubChem CID 7535734) has the molecular formula C20H18ClNOS and a molecular weight of 355.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide
PubChem CID7535734
Molecular FormulaC20H18ClNOS
Molecular Weight355.89 g/mol
Exact Mass355.08
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide
SMILESCN(Cc1ccccc1Cl)C(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C20H18ClNOS/c1-22(13-17-8-4-5-9-19(17)21)20(23)14-24-18-11-10-15-6-2-3-7-16(15)12-18/h2-12H,13-14H2,1H3
InChIKeyUSPUBQKGOAJKAV-UHFFFAOYSA-N
XLogP5.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.89
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide
CID 7965506
N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanyl-N-methylacetamide
CID 112790303
N-(2-chlorophenyl)-2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]acetamide
CID 9409895
3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid
CID 119233131
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7795799
2-methyl-3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid
CID 119228669
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)sulfanylacetamide
CID 26731366
N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 78768556
2-(4-tert-butylphenyl)sulfanyl-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 60518633
2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 61117245
2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 112789832
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 43909023

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide (CID 7535734) is N-[(2-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide is CN(Cc1ccccc1Cl)C(=O)CSc1ccc2ccccc2c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide?
The InChIKey is USPUBQKGOAJKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNOS/c1-22(13-17-8-4-5-9-19(17)21)20(23)14-24-18-11-10-15-6-2-3-7-16(15)12-18/h2-12H,13-14H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide?
N-[(2-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide has a molecular weight of 355.89 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide is sourced from PubChem (CID 7535734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).