2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide

C19H24N2O3S — CID 113154047

IUPAC2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O3S/c1-14-8-10-17(11-9-14)12-20-19(22)13-21(25(4,23)24)18-7-5-6-15(2)16(18)3/h5-11H,12-13H2,1-4H3,(H,20,22)
InChIKeyDXNRAUWLIULTOR-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.69
Rot. Bonds6

About 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide

2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 113154047) 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-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID113154047
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O3S/c1-14-8-10-17(11-9-14)12-20-19(22)13-21(25(4,23)24)18-7-5-6-15(2)16(18)3/h5-11H,12-13H2,1-4H3,(H,20,22)
InChIKeyDXNRAUWLIULTOR-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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Related Compounds

2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 3147408
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 51342973
2-(2-bromo-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1348545
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30225013
N-[(4-methylphenyl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30263870
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide
CID 30224877
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 3383232
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113154075
2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid
CID 975035
2-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 113155611
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 53280413
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133166559

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide (CID 113154047) is 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is DXNRAUWLIULTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14-8-10-17(11-9-14)12-20-19(22)13-21(25(4,23)24)18-7-5-6-15(2)16(18)3/h5-11H,12-13H2,1-4H3,(H,20,22).
What are the key properties of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide?
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(4-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-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 113154047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).