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

C20H28N4O5S — CID 55621412

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2c(C)noc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H28N4O5S/c1-14-5-6-17(11-19(14)30(26,27)24-7-9-28-10-8-24)21-20(25)13-23(4)12-18-15(2)22-29-16(18)3/h5-6,11H,7-10,12-13H2,1-4H3,(H,21,25)
InChIKeyCOBDESBFVXVLOO-UHFFFAOYSA-N
MW436.53 g/mol
LogP1.69
Rot. Bonds7

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 55621412) has the molecular formula C20H28N4O5S and a molecular weight of 436.53 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID55621412
Molecular FormulaC20H28N4O5S
Molecular Weight436.53 g/mol
Exact Mass436.18
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2c(C)noc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H28N4O5S/c1-14-5-6-17(11-19(14)30(26,27)24-7-9-28-10-8-24)21-20(25)13-23(4)12-18-15(2)22-29-16(18)3/h5-6,11H,7-10,12-13H2,1-4H3,(H,21,25)
InChIKeyCOBDESBFVXVLOO-UHFFFAOYSA-N
XLogP1.69
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide 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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 55680304
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 16555054
3-ethyl-5-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 9183600
2-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8901179
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55518314
3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9183588
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 38302891
2-(1,2-benzoxazol-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 9183622
2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528218
N-(4-bromophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide
CID 26438150

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 55621412) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)Cc2c(C)noc2C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is COBDESBFVXVLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5S/c1-14-5-6-17(11-19(14)30(26,27)24-7-9-28-10-8-24)21-20(25)13-23(4)12-18-15(2)22-29-16(18)3/h5-6,11H,7-10,12-13H2,1-4H3,(H,21,25).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 436.53 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 55621412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).