2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide

C18H22N2O3S — CID 51343143

IUPAC2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O3S/c1-13-6-5-7-16(10-13)19-18(21)12-20(24(4,22)23)17-9-8-14(2)15(3)11-17/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyGSELOEIVFHRXFL-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.02
Rot. Bonds5

About 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide

2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide (PubChem CID 51343143) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
PubChem CID51343143
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O3S/c1-13-6-5-7-16(10-13)19-18(21)12-20(24(4,22)23)17-9-8-14(2)15(3)11-17/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyGSELOEIVFHRXFL-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 1326606
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-methylphenyl)acetamide
CID 30257983
methyl 4-[[2-(3-methylanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156049
N-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 126261953
2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30257958
N-(4-acetylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153931
N-(4-tert-butylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153927
N-(3-methylphenyl)-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113156289
N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1001054
N-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1098104
N-(3-cyanophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 113153763
methyl 4-[[2-(3,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 113153933

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide (CID 51343143) is 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide?
The InChIKey is GSELOEIVFHRXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-6-5-7-16(10-13)19-18(21)12-20(24(4,22)23)17-9-8-14(2)15(3)11-17/h5-11H,12H2,1-4H3,(H,19,21).
What are the key properties of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide?
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide has a molecular weight of 346.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 51343143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).