N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide

C20H17Cl2NOS — CID 7965506

IUPACN-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C20H17Cl2NOS/c1-23(12-16-7-4-8-18(21)20(16)22)19(24)13-25-17-10-9-14-5-2-3-6-15(14)11-17/h2-11H,12-13H2,1H3
InChIKeyBHFNFBIXTVAWMW-UHFFFAOYSA-N
MW390.34 g/mol
LogP5.90
Rot. Bonds5

About N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide

N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide (PubChem CID 7965506) has the molecular formula C20H17Cl2NOS and a molecular weight of 390.34 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide
PubChem CID7965506
Molecular FormulaC20H17Cl2NOS
Molecular Weight390.34 g/mol
Exact Mass389.04
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C20H17Cl2NOS/c1-23(12-16-7-4-8-18(21)20(16)22)19(24)13-25-17-10-9-14-5-2-3-6-15(14)11-17/h2-11H,12-13H2,1H3
InChIKeyBHFNFBIXTVAWMW-UHFFFAOYSA-N
XLogP5.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.34
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide
CID 7535734
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)sulfanylacetamide
CID 26731366
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-yloxyacetamide
CID 7930348
N-(2-chlorophenyl)-2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]acetamide
CID 9409895
N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanyl-N-methylacetamide
CID 112790303
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-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 112789832
2-methyl-3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid
CID 119228669
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
2-(8-chloronaphthalen-1-yl)sulfanyl-N-methyl-N-[(2-nitrophenyl)methyl]acetamide
CID 39141553
2-(4-tert-butylphenyl)sulfanyl-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 60518633

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide (CID 7965506) is N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide is CN(Cc1cccc(Cl)c1Cl)C(=O)CSc1ccc2ccccc2c1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide?
The InChIKey is BHFNFBIXTVAWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NOS/c1-23(12-16-7-4-8-18(21)20(16)22)19(24)13-25-17-10-9-14-5-2-3-6-15(14)11-17/h2-11H,12-13H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide?
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide has a molecular weight of 390.34 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide is sourced from PubChem (CID 7965506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).