2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide

C19H22N2O4S — CID 113155566

IUPAC2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
SMILESCC(=O)c1cccc(N(CC(=O)Nc2ccc(C)cc2C)S(C)(=O)=O)c1
InChIInChI=1S/C19H22N2O4S/c1-13-8-9-18(14(2)10-13)20-19(23)12-21(26(4,24)25)17-7-5-6-16(11-17)15(3)22/h5-11H,12H2,1-4H3,(H,20,23)
InChIKeyWTIWILCTYRTMCT-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.91
Rot. Bonds6

About 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide

2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide (PubChem CID 113155566) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
PubChem CID113155566
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
SMILESCC(=O)c1cccc(N(CC(=O)Nc2ccc(C)cc2C)S(C)(=O)=O)c1
InChIInChI=1S/C19H22N2O4S/c1-13-8-9-18(14(2)10-13)20-19(23)12-21(26(4,24)25)17-7-5-6-16(11-17)15(3)22/h5-11H,12H2,1-4H3,(H,20,23)
InChIKeyWTIWILCTYRTMCT-UHFFFAOYSA-N
XLogP2.91
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113155569
N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 51343025
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2973626
N-(4-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 51342537
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide
CID 2962960
methyl 3-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate
CID 2231397
N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1102314
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,5-dichlorophenyl)acetamide
CID 5201560
methyl 3-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate
CID 2970076
2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113154437
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 2712117
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide
CID 2224672

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide (CID 113155566) is 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide is CC(=O)c1cccc(N(CC(=O)Nc2ccc(C)cc2C)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is WTIWILCTYRTMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13-8-9-18(14(2)10-13)20-19(23)12-21(26(4,24)25)17-7-5-6-16(11-17)15(3)22/h5-11H,12H2,1-4H3,(H,20,23).
What are the key properties of 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide?
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 374.46 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 113155566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).