2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide

C20H24N2O4S — CID 113155569

IUPAC2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCC(=O)c1cccc(N(CC(=O)Nc2c(C)cc(C)cc2C)S(C)(=O)=O)c1
InChIInChI=1S/C20H24N2O4S/c1-13-9-14(2)20(15(3)10-13)21-19(24)12-22(27(5,25)26)18-8-6-7-17(11-18)16(4)23/h6-11H,12H2,1-5H3,(H,21,24)
InChIKeyVYIUBVVONCBBKE-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.22
Rot. Bonds6

About 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide

2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 113155569) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID113155569
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCC(=O)c1cccc(N(CC(=O)Nc2c(C)cc(C)cc2C)S(C)(=O)=O)c1
InChIInChI=1S/C20H24N2O4S/c1-13-9-14(2)20(15(3)10-13)21-19(24)12-22(27(5,25)26)18-8-6-7-17(11-18)16(4)23/h6-11H,12H2,1-5H3,(H,21,24)
InChIKeyVYIUBVVONCBBKE-UHFFFAOYSA-N
XLogP3.22
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113155566
2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113153664
methyl 3-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate
CID 2231397
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2973626
2-(4-iodo-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 2194266
2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide
CID 3538765
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide
CID 2962960
2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 3324324
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113154075
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,5-dichlorophenyl)acetamide
CID 5201560
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3917136
2-(4-methoxy-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 1318164

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide (CID 113155569) is 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide is CC(=O)c1cccc(N(CC(=O)Nc2c(C)cc(C)cc2C)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is VYIUBVVONCBBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-13-9-14(2)20(15(3)10-13)21-19(24)12-22(27(5,25)26)18-8-6-7-17(11-18)16(4)23/h6-11H,12H2,1-5H3,(H,21,24).
What are the key properties of 2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide?
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 388.49 g/mol, XLogP of 3.22, 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-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 113155569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).