2-(2-ethoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide

C19H24N2O5S — CID 655342

IUPAC2-(2-ethoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)NCc1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O5S/c1-4-26-18-8-6-5-7-17(18)21(27(3,23)24)14-19(22)20-13-15-9-11-16(25-2)12-10-15/h5-12H,4,13-14H2,1-3H3,(H,20,22)
InChIKeyKFDLNTKZRUJNIR-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.18
Rot. Bonds9

About 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide

2-(2-ethoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 655342) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID655342
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name2-(2-ethoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)NCc1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O5S/c1-4-26-18-8-6-5-7-17(18)21(27(3,23)24)14-19(22)20-13-15-9-11-16(25-2)12-10-15/h5-12H,4,13-14H2,1-3H3,(H,20,22)
InChIKeyKFDLNTKZRUJNIR-UHFFFAOYSA-N
XLogP2.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide (CID 655342) is 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide is CCOc1ccccc1N(CC(=O)NCc1ccc(OC)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is KFDLNTKZRUJNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-4-26-18-8-6-5-7-17(18)21(27(3,23)24)14-19(22)20-13-15-9-11-16(25-2)12-10-15/h5-12H,4,13-14H2,1-3H3,(H,20,22).
What are the key properties of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 392.48 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 655342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).