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

C18H22N2O4S — CID 1106295

IUPACN-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O4S/c1-3-24-17-11-9-16(10-12-17)20(25(2,22)23)14-18(21)19-13-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3,(H,19,21)
InChIKeyONRMFLMXYIJVDQ-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.17
Rot. Bonds8

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

N-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 1106295) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
PubChem CID1106295
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O4S/c1-3-24-17-11-9-16(10-12-17)20(25(2,22)23)14-18(21)19-13-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3,(H,19,21)
InChIKeyONRMFLMXYIJVDQ-UHFFFAOYSA-N
XLogP2.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)acetamide (CID 1106295) is N-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)acetamide is CCOc1ccc(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is ONRMFLMXYIJVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-3-24-17-11-9-16(10-12-17)20(25(2,22)23)14-18(21)19-13-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3,(H,19,21).
What are the key properties of N-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)acetamide?
N-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1106295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).