2-[benzyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide

C17H20N2O3S2 — CID 1314860

IUPAC2-[benzyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C17H20N2O3S2/c1-23-16-10-6-9-15(11-16)18-17(20)13-19(24(2,21)22)12-14-7-4-3-5-8-14/h3-11H,12-13H2,1-2H3,(H,18,20)
InChIKeyZPZSJEUZSSBFIJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.81
Rot. Bonds7

About 2-[benzyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide

2-[benzyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 1314860) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID1314860
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C17H20N2O3S2/c1-23-16-10-6-9-15(11-16)18-17(20)13-19(24(2,21)22)12-14-7-4-3-5-8-14/h3-11H,12-13H2,1-2H3,(H,18,20)
InChIKeyZPZSJEUZSSBFIJ-UHFFFAOYSA-N
XLogP2.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide (CID 1314860) is 2-[benzyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is ZPZSJEUZSSBFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-23-16-10-6-9-15(11-16)18-17(20)13-19(24(2,21)22)12-14-7-4-3-5-8-14/h3-11H,12-13H2,1-2H3,(H,18,20).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide?
2-[benzyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 364.49 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 1314860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).