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

C23H27N3O6S — CID 3236341

IUPAC2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NCc2cccc(OC)c2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C23H27N3O6S/c1-5-31-20-11-9-19(10-12-20)26(33(28,29)23-16(2)25-32-17(23)3)15-22(27)24-14-18-7-6-8-21(13-18)30-4/h6-13H,5,14-15H2,1-4H3,(H,24,27)
InChIKeyBGDJYHLNMVFLNM-UHFFFAOYSA-N
MW473.55 g/mol
LogP3.21
Rot. Bonds10

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

2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 3236341) 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-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID3236341
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-[(3-methoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NCc2cccc(OC)c2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C23H27N3O6S/c1-5-31-20-11-9-19(10-12-20)26(33(28,29)23-16(2)25-32-17(23)3)15-22(27)24-14-18-7-6-8-21(13-18)30-4/h6-13H,5,14-15H2,1-4H3,(H,24,27)
InChIKeyBGDJYHLNMVFLNM-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(3-methoxyphenyl)methyl]acetamide (CID 3236341) is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(3-methoxyphenyl)methyl]acetamide is CCOc1ccc(N(CC(=O)NCc2cccc(OC)c2)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-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is BGDJYHLNMVFLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-5-31-20-11-9-19(10-12-20)26(33(28,29)23-16(2)25-32-17(23)3)15-22(27)24-14-18-7-6-8-21(13-18)30-4/h6-13H,5,14-15H2,1-4H3,(H,24,27).
What are the key properties of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 473.55 g/mol, XLogP of 3.21, 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-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 3236341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).