2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide

C24H26N2O5S — CID 1119952

IUPAC2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2OC)Cc2ccccc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-18-9-14-23(31-3)22(15-18)25-24(27)17-26(16-19-7-5-4-6-8-19)32(28,29)21-12-10-20(30-2)11-13-21/h4-15H,16-17H2,1-3H3,(H,25,27)
InChIKeyGPSXAYSOZWSPTN-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.84
Rot. Bonds9

About 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 1119952) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID1119952
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2OC)Cc2ccccc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-18-9-14-23(31-3)22(15-18)25-24(27)17-26(16-19-7-5-4-6-8-19)32(28,29)21-12-10-20(30-2)11-13-21/h4-15H,16-17H2,1-3H3,(H,25,27)
InChIKeyGPSXAYSOZWSPTN-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide (CID 1119952) is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2OC)Cc2ccccc2)cc1.
What is the InChIKey of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is GPSXAYSOZWSPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-18-9-14-23(31-3)22(15-18)25-24(27)17-26(16-19-7-5-4-6-8-19)32(28,29)21-12-10-20(30-2)11-13-21/h4-15H,16-17H2,1-3H3,(H,25,27).
What are the key properties of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 454.55 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 1119952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).