N-(3,4-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide

C19H24N2O4S — CID 1106306

IUPACN-(3,4-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O4S/c1-5-25-18-10-8-17(9-11-18)21(26(4,23)24)13-19(22)20-16-7-6-14(2)15(3)12-16/h6-12H,5,13H2,1-4H3,(H,20,22)
InChIKeySSEBHPCNBMMUHX-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.11
Rot. Bonds7

About N-(3,4-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide

N-(3,4-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 1106306) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
PubChem CID1106306
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-(3,4-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O4S/c1-5-25-18-10-8-17(9-11-18)21(26(4,23)24)13-19(22)20-16-7-6-14(2)15(3)12-16/h6-12H,5,13H2,1-4H3,(H,20,22)
InChIKeySSEBHPCNBMMUHX-UHFFFAOYSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide (CID 1106306) is N-(3,4-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide is CCOc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is SSEBHPCNBMMUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-5-25-18-10-8-17(9-11-18)21(26(4,23)24)13-19(22)20-16-7-6-14(2)15(3)12-16/h6-12H,5,13H2,1-4H3,(H,20,22).
What are the key properties of N-(3,4-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide?
N-(3,4-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 376.48 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1106306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).