N-(2-ethoxyphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

C24H26N2O5S — CID 1318031

IUPACN-(2-ethoxyphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCOc1ccccc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H26N2O5S/c1-4-31-22-11-7-5-9-20(22)25-24(27)17-26(21-10-6-8-12-23(21)30-3)32(28,29)19-15-13-18(2)14-16-19/h5-16H,4,17H2,1-3H3,(H,25,27)
InChIKeyKUZIREIAHSGSCY-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.24
Rot. Bonds9

About N-(2-ethoxyphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(2-ethoxyphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 1318031) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID1318031
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-(2-ethoxyphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCOc1ccccc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H26N2O5S/c1-4-31-22-11-7-5-9-20(22)25-24(27)17-26(21-10-6-8-12-23(21)30-3)32(28,29)19-15-13-18(2)14-16-19/h5-16H,4,17H2,1-3H3,(H,25,27)
InChIKeyKUZIREIAHSGSCY-UHFFFAOYSA-N
XLogP4.24
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 1318031) is N-(2-ethoxyphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is CCOc1ccccc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is KUZIREIAHSGSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-4-31-22-11-7-5-9-20(22)25-24(27)17-26(21-10-6-8-12-23(21)30-3)32(28,29)19-15-13-18(2)14-16-19/h5-16H,4,17H2,1-3H3,(H,25,27).
What are the key properties of N-(2-ethoxyphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(2-ethoxyphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 454.55 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 1318031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).