2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide

C17H23N3O4S — CID 27687567

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C17H23N3O4S/c1-6-14-9-7-8-11(2)16(14)18-15(21)10-20(5)25(22,23)17-12(3)19-24-13(17)4/h7-9H,6,10H2,1-5H3,(H,18,21)
InChIKeySHXHHYJMZXEFEW-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.42
Rot. Bonds6

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 27687567) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID27687567
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C17H23N3O4S/c1-6-14-9-7-8-11(2)16(14)18-15(21)10-20(5)25(22,23)17-12(3)19-24-13(17)4/h7-9H,6,10H2,1-5H3,(H,18,21)
InChIKeySHXHHYJMZXEFEW-UHFFFAOYSA-N
XLogP2.42
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 891784
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(2-ethylphenyl)acetamide
CID 26943724
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 24678182
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 27687532
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 110335555
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-ethyl-6-methylphenyl)pyrrolidine-2-carboxamide
CID 17412470
(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-ethyl-6-methylphenyl)pyrrolidine-2-carboxamide
CID 40879870
2-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 26941914
N-[1-(3-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide
CID 24608455
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide
CID 27687531
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 38302891
N-(2,6-diethylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]acetamide
CID 86925946

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide (CID 27687567) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1c(C)noc1C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is SHXHHYJMZXEFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-6-14-9-7-8-11(2)16(14)18-15(21)10-20(5)25(22,23)17-12(3)19-24-13(17)4/h7-9H,6,10H2,1-5H3,(H,18,21).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 365.46 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 27687567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).