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

C23H27N3O5S — CID 5307319

IUPAC2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(3,4-dimethylphenyl)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C23H27N3O5S/c1-6-30-21-11-9-20(10-12-21)26(32(28,29)23-17(4)25-31-18(23)5)14-22(27)24-19-8-7-15(2)16(3)13-19/h7-13H,6,14H2,1-5H3,(H,24,27)
InChIKeyKGHBCMLYYGGYLW-UHFFFAOYSA-N
MW457.55 g/mol
LogP4.14
Rot. Bonds8

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

2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 5307319) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(3,4-dimethylphenyl)acetamide
PubChem CID5307319
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(3,4-dimethylphenyl)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C23H27N3O5S/c1-6-30-21-11-9-20(10-12-21)26(32(28,29)23-17(4)25-31-18(23)5)14-22(27)24-19-8-7-15(2)16(3)13-19/h7-13H,6,14H2,1-5H3,(H,24,27)
InChIKeyKGHBCMLYYGGYLW-UHFFFAOYSA-N
XLogP4.14
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(3,4-dimethylphenyl)acetamide (CID 5307319) is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(3,4-dimethylphenyl)acetamide is CCOc1ccc(N(CC(=O)Nc2ccc(C)c(C)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-(3,4-dimethylphenyl)acetamide?
The InChIKey is KGHBCMLYYGGYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-6-30-21-11-9-20(10-12-21)26(32(28,29)23-17(4)25-31-18(23)5)14-22(27)24-19-8-7-15(2)16(3)13-19/h7-13H,6,14H2,1-5H3,(H,24,27).
What are the key properties of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(3,4-dimethylphenyl)acetamide?
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 457.55 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 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-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 5307319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).