2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(2-ethoxyphenyl)acetamide

C23H27N3O6S — CID 20858914

IUPAC2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccccc2OCC)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C23H27N3O6S/c1-5-30-19-13-11-18(12-14-19)26(33(28,29)23-16(3)25-32-17(23)4)15-22(27)24-20-9-7-8-10-21(20)31-6-2/h7-14H,5-6,15H2,1-4H3,(H,24,27)
InChIKeyXFEQYNKGPWUKRD-UHFFFAOYSA-N
MW473.55 g/mol
LogP3.92
Rot. Bonds10

About 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(2-ethoxyphenyl)acetamide

2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(2-ethoxyphenyl)acetamide (PubChem CID 20858914) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(2-ethoxyphenyl)acetamide
PubChem CID20858914
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccccc2OCC)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C23H27N3O6S/c1-5-30-19-13-11-18(12-14-19)26(33(28,29)23-16(3)25-32-17(23)4)15-22(27)24-20-9-7-8-10-21(20)31-6-2/h7-14H,5-6,15H2,1-4H3,(H,24,27)
InChIKeyXFEQYNKGPWUKRD-UHFFFAOYSA-N
XLogP3.92
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(2-ethoxyphenyl)acetamide (CID 20858914) is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(2-ethoxyphenyl)acetamide is CCOc1ccc(N(CC(=O)Nc2ccccc2OCC)S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is XFEQYNKGPWUKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-5-30-19-13-11-18(12-14-19)26(33(28,29)23-16(3)25-32-17(23)4)15-22(27)24-20-9-7-8-10-21(20)31-6-2/h7-14H,5-6,15H2,1-4H3,(H,24,27).
What are the key properties of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(2-ethoxyphenyl)acetamide?
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 473.55 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 20858914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).