2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-[(4-methylphenyl)methyl]acetamide

C19H22N2O4S — CID 39083709

IUPAC2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CS(=O)(=O)CC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-14-3-7-16(8-4-14)11-20-18(22)12-26(24,25)13-19(23)21-17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXJGPAFZFTWSESO-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.97
Rot. Bonds7

About 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-[(4-methylphenyl)methyl]acetamide

2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 39083709) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-[(4-methylphenyl)methyl]acetamide
PubChem CID39083709
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CS(=O)(=O)CC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-14-3-7-16(8-4-14)11-20-18(22)12-26(24,25)13-19(23)21-17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXJGPAFZFTWSESO-UHFFFAOYSA-N
XLogP1.97
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-propylacetamide
CID 39083686
2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-prop-2-enylacetamide
CID 39083697
2-[2-(4-methylanilino)-2-oxoethyl]sulfonylacetate
CID 6986822
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 39083637
N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
CID 39083624
2-(cyanomethylsulfonyl)-N-(4-methylphenyl)acetamide
CID 39159152
N-[(4-fluorophenyl)methyl]-3-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]benzamide
CID 39083783
N'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945823
2-[(4-acetamidophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 112992301
1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108875243
4-[(4-methylphenyl)methylcarbamoylamino]benzenesulfonic acid
CID 108899031
N-[[4-(methoxymethyl)phenyl]methyl]-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 87012824

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-[(4-methylphenyl)methyl]acetamide (CID 39083709) is 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CS(=O)(=O)CC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is XJGPAFZFTWSESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-3-7-16(8-4-14)11-20-18(22)12-26(24,25)13-19(23)21-17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-[(4-methylphenyl)methyl]acetamide?
2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 374.46 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 39083709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).