2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide

C19H24N2O4S — CID 100781042

IUPAC2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C19H24N2O4S/c1-5-25-17-10-8-16(9-11-17)20-19(22)13-21(4)26(23,24)18-12-14(2)6-7-15(18)3/h6-12H,5,13H2,1-4H3,(H,20,22)
InChIKeyCFFXNBGLVHZNED-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.96
Rot. Bonds7

About 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide

2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide (PubChem CID 100781042) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
PubChem CID100781042
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C19H24N2O4S/c1-5-25-17-10-8-16(9-11-17)20-19(22)13-21(4)26(23,24)18-12-14(2)6-7-15(18)3/h6-12H,5,13H2,1-4H3,(H,20,22)
InChIKeyCFFXNBGLVHZNED-UHFFFAOYSA-N
XLogP2.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 2989117
N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 100781076
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1100045
N-(2,4-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45373105
ethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373125
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695434
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 112998873
methyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373124
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 26522302
dimethyl 5-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzene-1,3-dicarboxylate
CID 45373145
N-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 2545228
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide
CID 3635933

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide (CID 100781042) is 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is CFFXNBGLVHZNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-5-25-17-10-8-16(9-11-17)20-19(22)13-21(4)26(23,24)18-12-14(2)6-7-15(18)3/h6-12H,5,13H2,1-4H3,(H,20,22).
What are the key properties of 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide?
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 376.48 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 100781042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).