2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide

C19H24N2O3S — CID 1320434

IUPAC2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-14-9-7-11-18(16(14)3)21(25(4,23)24)13-19(22)20-12-17-10-6-5-8-15(17)2/h5-11H,12-13H2,1-4H3,(H,20,22)
InChIKeyIRKFYKBLLDJOFF-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.69
Rot. Bonds6

About 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide

2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 1320434) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
PubChem CID1320434
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-14-9-7-11-18(16(14)3)21(25(4,23)24)13-19(22)20-12-17-10-6-5-8-15(17)2/h5-11H,12-13H2,1-4H3,(H,20,22)
InChIKeyIRKFYKBLLDJOFF-UHFFFAOYSA-N
XLogP2.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide (CID 1320434) is 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O.
What is the InChIKey of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is IRKFYKBLLDJOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14-9-7-11-18(16(14)3)21(25(4,23)24)13-19(22)20-12-17-10-6-5-8-15(17)2/h5-11H,12-13H2,1-4H3,(H,20,22).
What are the key properties of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide?
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 1320434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).