2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide

C17H20N2O3S2 — CID 1308148

IUPAC2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C17H20N2O3S2/c1-13-6-4-8-15(10-13)19(24(3,21)22)12-17(20)18-14-7-5-9-16(11-14)23-2/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyWKOAMAGRSCEVAL-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.12
Rot. Bonds6

About 2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide

2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 1308148) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID1308148
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C17H20N2O3S2/c1-13-6-4-8-15(10-13)19(24(3,21)22)12-17(20)18-14-7-5-9-16(11-14)23-2/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyWKOAMAGRSCEVAL-UHFFFAOYSA-N
XLogP3.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide (CID 1308148) is 2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is WKOAMAGRSCEVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-13-6-4-8-15(10-13)19(24(3,21)22)12-17(20)18-14-7-5-9-16(11-14)23-2/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of 2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide?
2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 364.49 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 1308148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).