2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-methylphenyl)acetamide

C18H22N2O5S — CID 22300235

IUPAC2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(OC)c(CS(=O)(=O)NCC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C18H22N2O5S/c1-13-4-6-15(7-5-13)20-18(21)11-19-26(22,23)12-14-10-16(24-2)8-9-17(14)25-3/h4-10,19H,11-12H2,1-3H3,(H,20,21)
InChIKeyVBWUGIXYXVUPDZ-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.07
Rot. Bonds8

About 2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-methylphenyl)acetamide

2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-methylphenyl)acetamide (PubChem CID 22300235) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-methylphenyl)acetamide
PubChem CID22300235
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(OC)c(CS(=O)(=O)NCC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C18H22N2O5S/c1-13-4-6-15(7-5-13)20-18(21)11-19-26(22,23)12-14-10-16(24-2)8-9-17(14)25-3/h4-10,19H,11-12H2,1-3H3,(H,20,21)
InChIKeyVBWUGIXYXVUPDZ-UHFFFAOYSA-N
XLogP2.07
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 22299911
N-[4-[(2,5-dimethoxyphenyl)methylsulfonyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 161186563
2-[(2,5-dimethoxyphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8786291
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 34978448
2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 112996215
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998742
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383211
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1099912
N-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804409
2-(2,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)acetamide
CID 78804402
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110407286
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998755

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-methylphenyl)acetamide (CID 22300235) is 2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-methylphenyl)acetamide is COc1ccc(OC)c(CS(=O)(=O)NCC(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is VBWUGIXYXVUPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-13-4-6-15(7-5-13)20-18(21)11-19-26(22,23)12-14-10-16(24-2)8-9-17(14)25-3/h4-10,19H,11-12H2,1-3H3,(H,20,21).
What are the key properties of 2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-methylphenyl)acetamide?
2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 378.45 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 22300235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).