2-[(2,6-dichlorophenyl)methylsulfinyl]-N-methyl-N-phenylacetamide

C16H15Cl2NO2S — CID 56808108

IUPAC2-[(2,6-dichlorophenyl)methylsulfinyl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CS(=O)Cc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C16H15Cl2NO2S/c1-19(12-6-3-2-4-7-12)16(20)11-22(21)10-13-14(17)8-5-9-15(13)18/h2-9H,10-11H2,1H3
InChIKeyGYPCMLSCOUWYHB-UHFFFAOYSA-N
MW356.27 g/mol
LogP3.91
Rot. Bonds5

About 2-[(2,6-dichlorophenyl)methylsulfinyl]-N-methyl-N-phenylacetamide

2-[(2,6-dichlorophenyl)methylsulfinyl]-N-methyl-N-phenylacetamide (PubChem CID 56808108) has the molecular formula C16H15Cl2NO2S and a molecular weight of 356.27 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfinyl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfinyl]-N-methyl-N-phenylacetamide
PubChem CID56808108
Molecular FormulaC16H15Cl2NO2S
Molecular Weight356.27 g/mol
Exact Mass355.02
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfinyl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CS(=O)Cc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C16H15Cl2NO2S/c1-19(12-6-3-2-4-7-12)16(20)11-22(21)10-13-14(17)8-5-9-15(13)18/h2-9H,10-11H2,1H3
InChIKeyGYPCMLSCOUWYHB-UHFFFAOYSA-N
XLogP3.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichloroanilino)-N-methyl-N-phenylacetamide
CID 109007260
N-(2,3-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953239
N-(2-chlorophenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953174
2-[(2,6-dichlorophenyl)methylsulfinyl]propanoic acid
CID 60982347
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-phenylacetamide
CID 113201346
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide
CID 60505511
3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide
CID 28942333
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
[2-(N-methylanilino)-2-oxoethyl] 3-(2-chlorophenyl)prop-2-enoate
CID 4166731
4-chloro-N-methyl-N-phenylbutanamide
CID 16780864
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide
CID 47138508
N-methyl-N-phenyl-2-pyrrol-1-ylacetamide
CID 110688597

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfinyl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfinyl]-N-methyl-N-phenylacetamide (CID 56808108) is 2-[(2,6-dichlorophenyl)methylsulfinyl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfinyl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfinyl]-N-methyl-N-phenylacetamide is CN(C(=O)CS(=O)Cc1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfinyl]-N-methyl-N-phenylacetamide?
The InChIKey is GYPCMLSCOUWYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2S/c1-19(12-6-3-2-4-7-12)16(20)11-22(21)10-13-14(17)8-5-9-15(13)18/h2-9H,10-11H2,1H3.
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfinyl]-N-methyl-N-phenylacetamide?
2-[(2,6-dichlorophenyl)methylsulfinyl]-N-methyl-N-phenylacetamide has a molecular weight of 356.27 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfinyl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 56808108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).