2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide

C17H20N4O4S — CID 55621554

IUPAC2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
SMILESCc1noc(C)c1CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H20N4O4S/c1-12-16(13(2)25-19-12)10-20(3)17(22)11-21(4)26(23,24)15-7-5-14(9-18)6-8-15/h5-8H,10-11H2,1-4H3
InChIKeyHMXWKWRXGQGRII-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.44
Rot. Bonds6

About 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide

2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide (PubChem CID 55621554) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
PubChem CID55621554
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
SMILESCc1noc(C)c1CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H20N4O4S/c1-12-16(13(2)25-19-12)10-20(3)17(22)11-21(4)26(23,24)15-7-5-14(9-18)6-8-15/h5-8H,10-11H2,1-4H3
InChIKeyHMXWKWRXGQGRII-UHFFFAOYSA-N
XLogP1.44
TPSA107.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyano-N-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide
CID 47060007
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-methyl-N-(1-pyridin-4-ylethyl)acetamide
CID 60571189
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55641872
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethylsulfonyl-N-methylacetamide
CID 86827719
4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propoxy]benzonitrile
CID 60500512
2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 110870140
N-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 55580007
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-sulfonamide
CID 110870133
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 55594335
N-[2-(azepan-1-yl)-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide
CID 31700565
methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylate
CID 47027463

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide (CID 55621554) is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide is Cc1noc(C)c1CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide?
The InChIKey is HMXWKWRXGQGRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-12-16(13(2)25-19-12)10-20(3)17(22)11-21(4)26(23,24)15-7-5-14(9-18)6-8-15/h5-8H,10-11H2,1-4H3.
What are the key properties of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide?
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide has a molecular weight of 376.44 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 55621554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).