2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide

C18H22N2O5S — CID 1316104

IUPAC2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C18H22N2O5S/c1-13-5-7-14(8-6-13)19-18(21)12-20(2)26(22,23)15-9-10-16(24-3)17(11-15)25-4/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyZGLMIYZPHSSVTQ-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.27
Rot. Bonds7

About 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide

2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 1316104) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID1316104
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C18H22N2O5S/c1-13-5-7-14(8-6-13)19-18(21)12-20(2)26(22,23)15-9-10-16(24-3)17(11-15)25-4/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyZGLMIYZPHSSVTQ-UHFFFAOYSA-N
XLogP2.27
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Act-462206
CID 40924317
N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(4-nitro-benzyl)-amino]-acetamide
CID 10500886
(2E)-3-(3,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1294363
N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(4-nitro-benzyl)-amino]-propionamide
CID 23645536
2-(N-Benzyl4-methoxybenzenesulfonamido)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1119952
N-(3,4-Dimethylphenyl)-2-[N-(2-phenylethyl)3,4-dimethoxybenzenesulfonamido]acetamide
CID 1208429
1-(3,4-Dimethoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine
CID 1262214
N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1359892
2-[N-(4-Methoxyphenyl)3,4-dimethoxybenzenesulfonamido]-N-(1-phenylethyl)acetamide
CID 2860019
N-(2,5-Dimethylphenyl)-2-[N-(2-phenylethyl)4-methoxybenzenesulfonamido]acetamide
CID 2878889
2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(tetrahydro-2-furanylmethyl)acetamide
CID 2948005
Acetamide, 2-[(3,4-dimethoxybenzenesulfonyl)(methyl)amino]-N-phenethyl-
CID 3511426

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide (CID 1316104) is 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is ZGLMIYZPHSSVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-13-5-7-14(8-6-13)19-18(21)12-20(2)26(22,23)15-9-10-16(24-3)17(11-15)25-4/h5-11H,12H2,1-4H3,(H,19,21).
What are the key properties of 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide?
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 378.45 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 1316104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).