2-[bis(4-chlorophenyl)methylsulfanyl]-N,N-dimethylacetamide

C17H17Cl2NOS — CID 53320105

IUPAC2-[bis(4-chlorophenyl)methylsulfanyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2NOS/c1-20(2)16(21)11-22-17(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10,17H,11H2,1-2H3
InChIKeyMMXMBYOYABEQHL-UHFFFAOYSA-N
MW354.30 g/mol
LogP4.90
Rot. Bonds5

About 2-[bis(4-chlorophenyl)methylsulfanyl]-N,N-dimethylacetamide

2-[bis(4-chlorophenyl)methylsulfanyl]-N,N-dimethylacetamide (PubChem CID 53320105) has the molecular formula C17H17Cl2NOS and a molecular weight of 354.30 g/mol. Its IUPAC name is 2-[bis(4-chlorophenyl)methylsulfanyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[bis(4-chlorophenyl)methylsulfanyl]-N,N-dimethylacetamide
PubChem CID53320105
Molecular FormulaC17H17Cl2NOS
Molecular Weight354.30 g/mol
Exact Mass353.04
IUPAC Name2-[bis(4-chlorophenyl)methylsulfanyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2NOS/c1-20(2)16(21)11-22-17(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10,17H,11H2,1-2H3
InChIKeyMMXMBYOYABEQHL-UHFFFAOYSA-N
XLogP4.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiobencarb
CID 34192
(+/-)-2-(Bis(4-chlorophenyl)methylsulfinyl)acetamide
CID 53322734
2-((Bis(3-chlorophenyl)methyl)thio)acetamide
CID 76314640
2-((bis(4-chlorophenyl)methyl)thio)-N-(3-phenylpropyl)acetamide
CID 76332747
2-{[(4-Chlorophenyl)methyl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
CID 875589
1-{[(4-Chlorobenzyl)thio]acetyl}-4-methylpiperidine
CID 882512
2-[(4-Chlorophenyl)methylsulfanyl]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 3986786
2-[[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]-N,N-dimethylacetamide
CID 11551857
2-[[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]-N,N-dimethylacetamide
CID 11595304
2-[[(3S,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]-N,N-dimethylacetamide
CID 11602560
2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-N,N-dimethyl-acetamide
CID 44398304
(+/-)-2-(Bis(4-chlorophenyl)methylsulfinyl)-N,N-dimethylethanamine
CID 53326640

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-chlorophenyl)methylsulfanyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[bis(4-chlorophenyl)methylsulfanyl]-N,N-dimethylacetamide (CID 53320105) is 2-[bis(4-chlorophenyl)methylsulfanyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[bis(4-chlorophenyl)methylsulfanyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[bis(4-chlorophenyl)methylsulfanyl]-N,N-dimethylacetamide is CN(C)C(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[bis(4-chlorophenyl)methylsulfanyl]-N,N-dimethylacetamide?
The InChIKey is MMXMBYOYABEQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NOS/c1-20(2)16(21)11-22-17(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10,17H,11H2,1-2H3.
What are the key properties of 2-[bis(4-chlorophenyl)methylsulfanyl]-N,N-dimethylacetamide?
2-[bis(4-chlorophenyl)methylsulfanyl]-N,N-dimethylacetamide has a molecular weight of 354.30 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-chlorophenyl)methylsulfanyl]-N,N-dimethylacetamide is sourced from PubChem (CID 53320105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).