2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide

C18H22N2O4S — CID 1106303

IUPAC2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccc(C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-24-17-11-9-16(10-12-17)20(25(3,22)23)13-18(21)19-15-7-5-14(2)6-8-15/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyQTCQFVCPRYOSOW-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.80
Rot. Bonds7

About 2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide

2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide (PubChem CID 1106303) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
PubChem CID1106303
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccc(C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-24-17-11-9-16(10-12-17)20(25(3,22)23)13-18(21)19-15-7-5-14(2)6-8-15/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyQTCQFVCPRYOSOW-UHFFFAOYSA-N
XLogP2.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide (CID 1106303) is 2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide is CCOc1ccc(N(CC(=O)Nc2ccc(C)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
The InChIKey is QTCQFVCPRYOSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-24-17-11-9-16(10-12-17)20(25(3,22)23)13-18(21)19-15-7-5-14(2)6-8-15/h5-12H,4,13H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 1106303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).