N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide

C18H22N2O5S — CID 1102401

IUPACN-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O5S/c1-24-15-9-10-17(25-2)16(11-15)20(26(3,22)23)13-18(21)19-12-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKeyWMJKQIPYVFYFIJ-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.79
Rot. Bonds8

About N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide

N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 1102401) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
PubChem CID1102401
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O5S/c1-24-15-9-10-17(25-2)16(11-15)20(26(3,22)23)13-18(21)19-12-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKeyWMJKQIPYVFYFIJ-UHFFFAOYSA-N
XLogP1.79
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide (CID 1102401) is N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide is COc1ccc(OC)c(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is WMJKQIPYVFYFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-24-15-9-10-17(25-2)16(11-15)20(26(3,22)23)13-18(21)19-12-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3,(H,19,21).
What are the key properties of N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide?
N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 378.45 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1102401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).