N-(2,5-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide

C18H22N2O3S — CID 785133

IUPACN-(2,5-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-6-9-16(10-7-13)20(24(4,22)23)12-18(21)19-17-11-14(2)5-8-15(17)3/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyZDRDNQVTFQYDQZ-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.02
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide

N-(2,5-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 785133) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
PubChem CID785133
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(2,5-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-6-9-16(10-7-13)20(24(4,22)23)12-18(21)19-17-11-14(2)5-8-15(17)3/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyZDRDNQVTFQYDQZ-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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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide (CID 785133) is N-(2,5-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide is Cc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is ZDRDNQVTFQYDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-6-9-16(10-7-13)20(24(4,22)23)12-18(21)19-17-11-14(2)5-8-15(17)3/h5-11H,12H2,1-4H3,(H,19,21).
What are the key properties of N-(2,5-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide?
N-(2,5-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)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 N-(2,5-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 785133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).