2-(2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide

C17H20N2O4S — CID 700392

IUPAC2-(2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C17H20N2O4S/c1-13-8-4-5-9-14(13)18-17(20)12-19(24(3,21)22)15-10-6-7-11-16(15)23-2/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyNBVFGKHOCWLPHS-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.41
Rot. Bonds6

About 2-(2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide

2-(2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide (PubChem CID 700392) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-(2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
PubChem CID700392
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-(2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C17H20N2O4S/c1-13-8-4-5-9-14(13)18-17(20)12-19(24(3,21)22)15-10-6-7-11-16(15)23-2/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyNBVFGKHOCWLPHS-UHFFFAOYSA-N
XLogP2.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide (CID 700392) is 2-(2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide is COc1ccccc1N(CC(=O)Nc1ccccc1C)S(C)(=O)=O.
What is the InChIKey of 2-(2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide?
The InChIKey is NBVFGKHOCWLPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13-8-4-5-9-14(13)18-17(20)12-19(24(3,21)22)15-10-6-7-11-16(15)23-2/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of 2-(2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide?
2-(2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide has a molecular weight of 348.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 700392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).