2-[methyl(methylsulfonyl)amino]-N-(2-methylsulfanylphenyl)benzamide

C16H18N2O3S2 — CID 2208446

IUPAC2-[methyl(methylsulfonyl)amino]-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O
InChIInChI=1S/C16H18N2O3S2/c1-18(23(3,20)21)14-10-6-4-8-12(14)16(19)17-13-9-5-7-11-15(13)22-2/h4-11H,1-3H3,(H,17,19)
InChIKeyWSQMMRDVPLNQRB-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.06
Rot. Bonds5

About 2-[methyl(methylsulfonyl)amino]-N-(2-methylsulfanylphenyl)benzamide

2-[methyl(methylsulfonyl)amino]-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 2208446) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-(2-methylsulfanylphenyl)benzamide
PubChem CID2208446
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O
InChIInChI=1S/C16H18N2O3S2/c1-18(23(3,20)21)14-10-6-4-8-12(14)16(19)17-13-9-5-7-11-15(13)22-2/h4-11H,1-3H3,(H,17,19)
InChIKeyWSQMMRDVPLNQRB-UHFFFAOYSA-N
XLogP3.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl(methylsulfonyl)amino]-N-(2-methylsulfanylphenyl)benzamide 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-[methyl(methylsulfonyl)amino]-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(2-methylsulfanylphenyl)benzamide (CID 2208446) is 2-[methyl(methylsulfonyl)amino]-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is WSQMMRDVPLNQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-18(23(3,20)21)14-10-6-4-8-12(14)16(19)17-13-9-5-7-11-15(13)22-2/h4-11H,1-3H3,(H,17,19).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-(2-methylsulfanylphenyl)benzamide?
2-[methyl(methylsulfonyl)amino]-N-(2-methylsulfanylphenyl)benzamide has a molecular weight of 350.47 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 2208446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).