2-[(2,6-dichlorophenyl)methylsulfanyl]-N-methylacetamide

C10H11Cl2NOS — CID 894324

IUPAC2-[(2,6-dichlorophenyl)methylsulfanyl]-N-methylacetamide
SMILESCNC(=O)CSCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H11Cl2NOS/c1-13-10(14)6-15-5-7-8(11)3-2-4-9(7)12/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyAJLYXIPGZIUIDD-UHFFFAOYSA-N
MW264.18 g/mol
LogP2.97
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-methylacetamide

2-[(2,6-dichlorophenyl)methylsulfanyl]-N-methylacetamide (PubChem CID 894324) has the molecular formula C10H11Cl2NOS and a molecular weight of 264.18 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-methylacetamide
PubChem CID894324
Molecular FormulaC10H11Cl2NOS
Molecular Weight264.18 g/mol
Exact Mass262.99
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-methylacetamide
SMILESCNC(=O)CSCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H11Cl2NOS/c1-13-10(14)6-15-5-7-8(11)3-2-4-9(7)12/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyAJLYXIPGZIUIDD-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorobenzyl)sulfanyl]-N-(propan-2-yl)acetamide
CID 875617
3-[(2-chlorobenzyl)thio]-N-cyclopentylpropanamide
CID 4615987
2-Aminoethylsulfanyl-[(2,4-dichlorophenyl)methylsulfanyl]methanone;hydrochloride
CID 162654566
2-[(2,4-Dichlorophenyl)methylsulfanyl]-3-methylbutanamide
CID 162663908
2-[(2,6-Dichlorobenzyl)sulfanyl]acetamide
CID 893931
2-((Bis(4-chlorophenyl)methyl)thio)-N-methylacetamide
CID 76314641
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-methylacetamide
CID 848434
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-isopropylacetamide
CID 838666
N-(tert-butyl)-2-[(2,6-dichlorobenzyl)sulfanyl]acetamide
CID 848217
2-[(2,6-dichlorobenzyl)sulfanyl]-N,N-dimethylacetamide
CID 900355
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide
CID 2217851
N-{2-[(2-chlorobenzyl)thio]ethyl}-3-phenylacrylamide
CID 2260062

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-methylacetamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-methylacetamide (CID 894324) is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-methylacetamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-methylacetamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-methylacetamide is CNC(=O)CSCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-methylacetamide?
The InChIKey is AJLYXIPGZIUIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NOS/c1-13-10(14)6-15-5-7-8(11)3-2-4-9(7)12/h2-4H,5-6H2,1H3,(H,13,14).
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-methylacetamide?
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-methylacetamide has a molecular weight of 264.18 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-methylacetamide is sourced from PubChem (CID 894324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).