2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide

C18H22N2O5S — CID 22300310

IUPAC2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCOc1ccc(CS(=O)(=O)NCC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C18H22N2O5S/c1-3-25-16-9-7-14(8-10-16)13-26(22,23)19-12-18(21)20-15-5-4-6-17(11-15)24-2/h4-11,19H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyJKQMZULNXSKAEJ-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.15
Rot. Bonds9

About 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide

2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 22300310) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID22300310
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCOc1ccc(CS(=O)(=O)NCC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C18H22N2O5S/c1-3-25-16-9-7-14(8-10-16)13-26(22,23)19-12-18(21)20-15-5-4-6-17(11-15)24-2/h4-11,19H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyJKQMZULNXSKAEJ-UHFFFAOYSA-N
XLogP2.15
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethoxyphenyl)methylsulfonylamino]-N-pyridin-3-ylacetamide
CID 22300398
2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 22300171
2-[(4-bromophenyl)methylsulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 22299884
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
2-(3-ethoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 112977809
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 2226464
[2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9026269
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998688
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998662
2-(4-ethoxyphenyl)-N-(3-methylsulfonylphenyl)acetamide
CID 27334833
2-anilino-N-(3-ethoxyphenyl)acetamide
CID 54810362

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide (CID 22300310) is 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide is CCOc1ccc(CS(=O)(=O)NCC(=O)Nc2cccc(OC)c2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is JKQMZULNXSKAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-3-25-16-9-7-14(8-10-16)13-26(22,23)19-12-18(21)20-15-5-4-6-17(11-15)24-2/h4-11,19H,3,12-13H2,1-2H3,(H,20,21).
What are the key properties of 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide?
2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 378.45 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 22300310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).