2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide

C19H24N2O5S — CID 2278791

IUPAC2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O5S/c1-25-17-8-4-15(5-9-17)12-13-20-19(22)14-21(27(3,23)24)16-6-10-18(26-2)11-7-16/h4-11H,12-14H2,1-3H3,(H,20,22)
InChIKeyAYHSOZCBAVLGIS-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.83
Rot. Bonds9

About 2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 2278791) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID2278791
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O5S/c1-25-17-8-4-15(5-9-17)12-13-20-19(22)14-21(27(3,23)24)16-6-10-18(26-2)11-7-16/h4-11H,12-14H2,1-3H3,(H,20,22)
InChIKeyAYHSOZCBAVLGIS-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 2278791) is 2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is AYHSOZCBAVLGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-25-17-8-4-15(5-9-17)12-13-20-19(22)14-21(27(3,23)24)16-6-10-18(26-2)11-7-16/h4-11H,12-14H2,1-3H3,(H,20,22).
What are the key properties of 2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 392.48 g/mol, XLogP of 1.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 2278791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).