N-(2,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide

C18H22N2O3S — CID 112996402

IUPACN-(2,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C18H22N2O3S/c1-12-5-8-17(15(4)9-12)20-18(21)11-19-24(22,23)16-7-6-13(2)14(3)10-16/h5-10,19H,11H2,1-4H3,(H,20,21)
InChIKeyXJYMCZZFPRSIRC-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.84
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide

N-(2,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide (PubChem CID 112996402) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
PubChem CID112996402
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(2,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C18H22N2O3S/c1-12-5-8-17(15(4)9-12)20-18(21)11-19-24(22,23)16-7-6-13(2)14(3)10-16/h5-10,19H,11H2,1-4H3,(H,20,21)
InChIKeyXJYMCZZFPRSIRC-UHFFFAOYSA-N
XLogP2.84
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 112996411
2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(2-hydroxy-4-methylphenyl)acetamide
CID 7979655
N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4986521
N-[4-(2-hydroxyethylsulfamoyl)-2-methylphenyl]acetamide
CID 58962606
N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 24640543
N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112996585
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370277
N-(3-chloro-4-methylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 112998194
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
CID 112996416
3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 26538610
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113002239
N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9039784

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide (CID 112996402) is N-(2,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide is Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide?
The InChIKey is XJYMCZZFPRSIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12-5-8-17(15(4)9-12)20-18(21)11-19-24(22,23)16-7-6-13(2)14(3)10-16/h5-10,19H,11H2,1-4H3,(H,20,21).
What are the key properties of N-(2,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide?
N-(2,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide has a molecular weight of 346.45 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 112996402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).