2-ethoxy-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylacetamide

C20H20N2O5S — CID 22643560

IUPAC2-ethoxy-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylacetamide
SMILESCCOCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C20H20N2O5S/c1-3-26-13-18(23)22-28(24,25)17-11-9-15(10-12-17)19-14(2)27-21-20(19)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,22,23)
InChIKeyUPCOALQBVSRRJH-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.16
Rot. Bonds7

About 2-ethoxy-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylacetamide

2-ethoxy-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylacetamide (PubChem CID 22643560) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-ethoxy-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylacetamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylacetamide
PubChem CID22643560
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC Name2-ethoxy-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylacetamide
SMILESCCOCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C20H20N2O5S/c1-3-26-13-18(23)22-28(24,25)17-11-9-15(10-12-17)19-14(2)27-21-20(19)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,22,23)
InChIKeyUPCOALQBVSRRJH-UHFFFAOYSA-N
XLogP3.16
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylbutanamide
CID 10501495
2,2-dimethyl-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylpropanamide
CID 22643578
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propylbenzenesulfonamide
CID 69083499
methyl 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonate
CID 91810729
N-(1,1-dimethoxyhexan-2-yl)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 169084357
4-(5-(113C)methyl-3-phenyl-(513C,215N)1,2-oxazol-4-yl)benzenesulfonamide
CID 46783221
[3-(nitrooxymethyl)phenyl] N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylcarbamate
CID 10346209
methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 160931998
2-methyl-4-[2-[2-[[4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)phenyl]sulfonylcarbamoyloxy]ethyldisulfanyl]ethylamino]-4-oxobutanoic acid
CID 58608030
4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid
CID 58833412
sodium 3-methoxypropanoyl-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylazanide
CID 161320149
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
CID 171679381

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylacetamide?
The IUPAC name of 2-ethoxy-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylacetamide (CID 22643560) is 2-ethoxy-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylacetamide.
What is the SMILES notation for 2-ethoxy-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylacetamide?
The canonical SMILES for 2-ethoxy-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylacetamide is CCOCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1.
What is the InChIKey of 2-ethoxy-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylacetamide?
The InChIKey is UPCOALQBVSRRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-3-26-13-18(23)22-28(24,25)17-11-9-15(10-12-17)19-14(2)27-21-20(19)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,22,23).
What are the key properties of 2-ethoxy-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylacetamide?
2-ethoxy-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylacetamide has a molecular weight of 400.46 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylacetamide is sourced from PubChem (CID 22643560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).