2-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide

C19H22N2O4S — CID 113155611

IUPAC2-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
SMILESCC(=O)c1ccc(N(CC(=O)NCc2ccc(C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-14-4-6-16(7-5-14)12-20-19(23)13-21(26(3,24)25)18-10-8-17(9-11-18)15(2)22/h4-11H,12-13H2,1-3H3,(H,20,23)
InChIKeyXIWGUMXINNIHQS-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.28
Rot. Bonds7

About 2-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide

2-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 113155611) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID113155611
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
SMILESCC(=O)c1ccc(N(CC(=O)NCc2ccc(C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-14-4-6-16(7-5-14)12-20-19(23)13-21(26(3,24)25)18-10-8-17(9-11-18)15(2)22/h4-11H,12-13H2,1-3H3,(H,20,23)
InChIKeyXIWGUMXINNIHQS-UHFFFAOYSA-N
XLogP2.28
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113145404
2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-benzylacetamide
CID 17433674
4-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30263641
N-[(4-methylphenyl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30263870
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 51342973
2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide
CID 5152281
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1338759
2-(4-methyl-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 2292030
2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1318473
2-(2-bromo-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1348545
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 113154047
2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 2971946

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide (CID 113155611) is 2-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide is CC(=O)c1ccc(N(CC(=O)NCc2ccc(C)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is XIWGUMXINNIHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-4-6-16(7-5-14)12-20-19(23)13-21(26(3,24)25)18-10-8-17(9-11-18)15(2)22/h4-11H,12-13H2,1-3H3,(H,20,23).
What are the key properties of 2-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide?
2-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 374.46 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 113155611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).