2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide

C24H26N2O5S — CID 1318069

IUPAC2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2OC)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-3-31-21-13-15-22(16-14-21)32(28,29)26(20-10-5-4-6-11-20)18-24(27)25-17-19-9-7-8-12-23(19)30-2/h4-16H,3,17-18H2,1-2H3,(H,25,27)
InChIKeyBAYBXWLCOFVTKK-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.61
Rot. Bonds10

About 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide

2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 1318069) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID1318069
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2OC)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-3-31-21-13-15-22(16-14-21)32(28,29)26(20-10-5-4-6-11-20)18-24(27)25-17-19-9-7-8-12-23(19)30-2/h4-16H,3,17-18H2,1-2H3,(H,25,27)
InChIKeyBAYBXWLCOFVTKK-UHFFFAOYSA-N
XLogP3.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide (CID 1318069) is 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2OC)c2ccccc2)cc1.
What is the InChIKey of 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is BAYBXWLCOFVTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-3-31-21-13-15-22(16-14-21)32(28,29)26(20-10-5-4-6-11-20)18-24(27)25-17-19-9-7-8-12-23(19)30-2/h4-16H,3,17-18H2,1-2H3,(H,25,27).
What are the key properties of 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 454.55 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 1318069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).