2-[(2,6-dichlorophenyl)methylsulfonyl]-N-methyl-N-(1-phenylethyl)acetamide

C18H19Cl2NO3S — CID 42961444

IUPAC2-[(2,6-dichlorophenyl)methylsulfonyl]-N-methyl-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)CS(=O)(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H19Cl2NO3S/c1-13(14-7-4-3-5-8-14)21(2)18(22)12-25(23,24)11-15-16(19)9-6-10-17(15)20/h3-10,13H,11-12H2,1-2H3
InChIKeyOURSZBXQTMBKJJ-UHFFFAOYSA-N
MW400.33 g/mol
LogP4.13
Rot. Bonds6

About 2-[(2,6-dichlorophenyl)methylsulfonyl]-N-methyl-N-(1-phenylethyl)acetamide

2-[(2,6-dichlorophenyl)methylsulfonyl]-N-methyl-N-(1-phenylethyl)acetamide (PubChem CID 42961444) has the molecular formula C18H19Cl2NO3S and a molecular weight of 400.33 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfonyl]-N-methyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfonyl]-N-methyl-N-(1-phenylethyl)acetamide
PubChem CID42961444
Molecular FormulaC18H19Cl2NO3S
Molecular Weight400.33 g/mol
Exact Mass399.05
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfonyl]-N-methyl-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)CS(=O)(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H19Cl2NO3S/c1-13(14-7-4-3-5-8-14)21(2)18(22)12-25(23,24)11-15-16(19)9-6-10-17(15)20/h3-10,13H,11-12H2,1-2H3
InChIKeyOURSZBXQTMBKJJ-UHFFFAOYSA-N
XLogP4.13
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-but-2-enyl]sulfonyl-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide
CID 75408457
methyl(1-phenylethyl)carbamic acid
CID 67062794
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
CID 46560526
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 87545698
N-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348587
4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide
CID 81087355
2-[(2-chloro-5-hydroxyphenyl)methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 139020948
2-(4-hydroxyphenyl)-N-methyl-N-(1-phenylethyl)acetamide
CID 78809223
2-[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43238276
N-methyl-3-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)propanamide
CID 78799694
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
CID 55365337
2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide
CID 85014048

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfonyl]-N-methyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfonyl]-N-methyl-N-(1-phenylethyl)acetamide (CID 42961444) is 2-[(2,6-dichlorophenyl)methylsulfonyl]-N-methyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfonyl]-N-methyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfonyl]-N-methyl-N-(1-phenylethyl)acetamide is CC(c1ccccc1)N(C)C(=O)CS(=O)(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfonyl]-N-methyl-N-(1-phenylethyl)acetamide?
The InChIKey is OURSZBXQTMBKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3S/c1-13(14-7-4-3-5-8-14)21(2)18(22)12-25(23,24)11-15-16(19)9-6-10-17(15)20/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfonyl]-N-methyl-N-(1-phenylethyl)acetamide?
2-[(2,6-dichlorophenyl)methylsulfonyl]-N-methyl-N-(1-phenylethyl)acetamide has a molecular weight of 400.33 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfonyl]-N-methyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 42961444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).