2-[benzyl(methylsulfonyl)amino]-N-(3,5-dimethylphenyl)acetamide

C18H22N2O3S — CID 838548

IUPAC2-[benzyl(methylsulfonyl)amino]-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O3S/c1-14-9-15(2)11-17(10-14)19-18(21)13-20(24(3,22)23)12-16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKeyYZCZEASWEOZZRJ-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.70
Rot. Bonds6

About 2-[benzyl(methylsulfonyl)amino]-N-(3,5-dimethylphenyl)acetamide

2-[benzyl(methylsulfonyl)amino]-N-(3,5-dimethylphenyl)acetamide (PubChem CID 838548) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-(3,5-dimethylphenyl)acetamide
PubChem CID838548
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O3S/c1-14-9-15(2)11-17(10-14)19-18(21)13-20(24(3,22)23)12-16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKeyYZCZEASWEOZZRJ-UHFFFAOYSA-N
XLogP2.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(3,5-dimethylphenyl)acetamide (CID 838548) is 2-[benzyl(methylsulfonyl)amino]-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is YZCZEASWEOZZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14-9-15(2)11-17(10-14)19-18(21)13-20(24(3,22)23)12-16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3,(H,19,21).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-(3,5-dimethylphenyl)acetamide?
2-[benzyl(methylsulfonyl)amino]-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 346.45 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 838548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).