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

C22H25N3O6S — CID 3238782

IUPAC2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(N(CC(=O)NCc2cccc(OC)c2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C22H25N3O6S/c1-15-22(16(2)31-24-15)32(27,28)25(18-8-10-19(29-3)11-9-18)14-21(26)23-13-17-6-5-7-20(12-17)30-4/h5-12H,13-14H2,1-4H3,(H,23,26)
InChIKeyQOUMQMGQVWJEMX-UHFFFAOYSA-N
MW459.52 g/mol
LogP2.82
Rot. Bonds9

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

2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 3238782) has the molecular formula C22H25N3O6S and a molecular weight of 459.52 g/mol. Its IUPAC name is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID3238782
Molecular FormulaC22H25N3O6S
Molecular Weight459.52 g/mol
Exact Mass459.15
IUPAC Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(N(CC(=O)NCc2cccc(OC)c2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C22H25N3O6S/c1-15-22(16(2)31-24-15)32(27,28)25(18-8-10-19(29-3)11-9-18)14-21(26)23-13-17-6-5-7-20(12-17)30-4/h5-12H,13-14H2,1-4H3,(H,23,26)
InChIKeyQOUMQMGQVWJEMX-UHFFFAOYSA-N
XLogP2.82
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 52.82
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-methoxyanilino]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(3-methoxyphenyl)methyl]acetamide (CID 3238782) is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(3-methoxyphenyl)methyl]acetamide is COc1ccc(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-methoxyanilino]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is QOUMQMGQVWJEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6S/c1-15-22(16(2)31-24-15)32(27,28)25(18-8-10-19(29-3)11-9-18)14-21(26)23-13-17-6-5-7-20(12-17)30-4/h5-12H,13-14H2,1-4H3,(H,23,26).
What are the key properties of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 459.52 g/mol, XLogP of 2.82, 9 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-methoxyanilino]-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 3238782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).