N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide

C15H16Cl2N2O4S — CID 86995720

IUPACN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide
SMILESCc1cc(CS(=O)(=O)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C15H16Cl2N2O4S/c1-10-5-12(18-23-10)8-24(21,22)9-15(20)19(2)7-11-3-4-13(16)14(17)6-11/h3-6H,7-9H2,1-2H3
InChIKeyQWHNBQINFLCOEM-UHFFFAOYSA-N
MW391.28 g/mol
LogP2.86
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide

N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide (PubChem CID 86995720) has the molecular formula C15H16Cl2N2O4S and a molecular weight of 391.28 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide
PubChem CID86995720
Molecular FormulaC15H16Cl2N2O4S
Molecular Weight391.28 g/mol
Exact Mass390.02
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide
SMILESCc1cc(CS(=O)(=O)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C15H16Cl2N2O4S/c1-10-5-12(18-23-10)8-24(21,22)9-15(20)19(2)7-11-3-4-13(16)14(17)6-11/h3-6H,7-9H2,1-2H3
InChIKeyQWHNBQINFLCOEM-UHFFFAOYSA-N
XLogP2.86
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide with MolForge

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Related Compounds

2-cyclopentylsulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 78884662
N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 75404996
2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 78771137
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide
CID 55403495
3-[[(S)-(3,4-dichlorophenyl)methylsulfinyl]methyl]-5-methyl-1,2-oxazole
CID 95062159
2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 112792431
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 75421049
2-(4-chlorophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 110714502
N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-methylacetamide
CID 34785448
2-(1-aminocyclopentyl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 64685068
2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100797510
2-(4-ethylphenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 86929165

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide (CID 86995720) is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide is Cc1cc(CS(=O)(=O)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)no1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide?
The InChIKey is QWHNBQINFLCOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O4S/c1-10-5-12(18-23-10)8-24(21,22)9-15(20)19(2)7-11-3-4-13(16)14(17)6-11/h3-6H,7-9H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide?
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide has a molecular weight of 391.28 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide is sourced from PubChem (CID 86995720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).