2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

C22H30N4O4S — CID 2459457

IUPAC2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C22H30N4O4S/c1-5-26(6-2)31(29,30)20-13-11-19(12-14-20)24-22(28)16-25(4)15-21(27)23-18-9-7-17(3)8-10-18/h7-14H,5-6,15-16H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyXUYIGUFLXUXQTJ-UHFFFAOYSA-N
MW446.57 g/mol
LogP2.53
Rot. Bonds10

About 2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 2459457) has the molecular formula C22H30N4O4S and a molecular weight of 446.57 g/mol. Its IUPAC name is 2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID2459457
Molecular FormulaC22H30N4O4S
Molecular Weight446.57 g/mol
Exact Mass446.20
IUPAC Name2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C22H30N4O4S/c1-5-26(6-2)31(29,30)20-13-11-19(12-14-20)24-22(28)16-25(4)15-21(27)23-18-9-7-17(3)8-10-18/h7-14H,5-6,15-16H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyXUYIGUFLXUXQTJ-UHFFFAOYSA-N
XLogP2.53
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126254789
ethyl 4-[[2-[ethyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 4675849
N-[4-(cyanomethyl)phenyl]-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100798669
2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 46736589
ethyl 2-[4-[[2-[ethyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate
CID 100795858
2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 40735304
2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-ethylamino]-N-(4-methylphenyl)acetamide
CID 19259500
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 27245718
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 21372133
N-[4-(diethylsulfamoyl)phenyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126259402
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
N-(4-acetamidophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2546752

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (CID 2459457) is 2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is XUYIGUFLXUXQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4S/c1-5-26(6-2)31(29,30)20-13-11-19(12-14-20)24-22(28)16-25(4)15-21(27)23-18-9-7-17(3)8-10-18/h7-14H,5-6,15-16H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of 2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 446.57 g/mol, XLogP of 2.53, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2459457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).