2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide

C20H26N2O4S — CID 1095193

IUPAC2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-5-26-19-9-7-6-8-18(19)22(27(4,24)25)14-20(23)21-17-12-10-16(11-13-17)15(2)3/h6-13,15H,5,14H2,1-4H3,(H,21,23)
InChIKeyZFOQBHNUCQKRBA-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.61
Rot. Bonds8

About 2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide

2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 1095193) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID1095193
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-5-26-19-9-7-6-8-18(19)22(27(4,24)25)14-20(23)21-17-12-10-16(11-13-17)15(2)3/h6-13,15H,5,14H2,1-4H3,(H,21,23)
InChIKeyZFOQBHNUCQKRBA-UHFFFAOYSA-N
XLogP3.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide (CID 1095193) is 2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide is CCOc1ccccc1N(CC(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is ZFOQBHNUCQKRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-5-26-19-9-7-6-8-18(19)22(27(4,24)25)14-20(23)21-17-12-10-16(11-13-17)15(2)3/h6-13,15H,5,14H2,1-4H3,(H,21,23).
What are the key properties of 2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 390.51 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 1095193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).