2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide

C18H26N4O4S — CID 55680304

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2c(C)noc2C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H26N4O4S/c1-12-7-8-15(9-17(12)27(24,25)21(4)5)19-18(23)11-22(6)10-16-13(2)20-26-14(16)3/h7-9H,10-11H2,1-6H3,(H,19,23)
InChIKeyOEJQFLCSGHQOHN-UHFFFAOYSA-N
MW394.50 g/mol
LogP1.92
Rot. Bonds7

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide (PubChem CID 55680304) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
PubChem CID55680304
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2c(C)noc2C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H26N4O4S/c1-12-7-8-15(9-17(12)27(24,25)21(4)5)19-18(23)11-22(6)10-16-13(2)20-26-14(16)3/h7-9H,10-11H2,1-6H3,(H,19,23)
InChIKeyOEJQFLCSGHQOHN-UHFFFAOYSA-N
XLogP1.92
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55621412
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 38302891
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 78870818
N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide
CID 55680503
N-[4-(4-bromophenyl)sulfanylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide
CID 55680494
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide
CID 55680392
N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 131952793
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 55850115
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide;hydrochloride
CID 120558768
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
CID 81084175
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide
CID 79194533
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide
CID 61259448

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide (CID 55680304) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide is Cc1ccc(NC(=O)CN(C)Cc2c(C)noc2C)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
The InChIKey is OEJQFLCSGHQOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-12-7-8-15(9-17(12)27(24,25)21(4)5)19-18(23)11-22(6)10-16-13(2)20-26-14(16)3/h7-9H,10-11H2,1-6H3,(H,19,23).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide has a molecular weight of 394.50 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide is sourced from PubChem (CID 55680304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).