2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide

C18H22N2O5S — CID 982218

IUPAC2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C18H22N2O5S/c1-24-16-10-9-15(11-17(16)25-2)19-18(21)13-20(26(3,22)23)12-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKeyMTEUYADGAJTYFH-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.10
Rot. Bonds8

About 2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide

2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 982218) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID982218
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C18H22N2O5S/c1-24-16-10-9-15(11-17(16)25-2)19-18(21)13-20(26(3,22)23)12-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKeyMTEUYADGAJTYFH-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide (CID 982218) is 2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1OC.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is MTEUYADGAJTYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-24-16-10-9-15(11-17(16)25-2)19-18(21)13-20(26(3,22)23)12-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3,(H,19,21).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide?
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 378.45 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 982218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).