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

C22H25N3O6S — CID 5309134

IUPAC2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(3-methoxyphenyl)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2cccc(OC)c2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C22H25N3O6S/c1-5-30-19-11-9-18(10-12-19)25(32(27,28)22-15(2)24-31-16(22)3)14-21(26)23-17-7-6-8-20(13-17)29-4/h6-13H,5,14H2,1-4H3,(H,23,26)
InChIKeyIPTAUKAMXIUPIY-UHFFFAOYSA-N
MW459.52 g/mol
LogP3.53
Rot. Bonds9

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

2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(3-methoxyphenyl)acetamide (PubChem CID 5309134) 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-ethoxyanilino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(3-methoxyphenyl)acetamide
PubChem CID5309134
Molecular FormulaC22H25N3O6S
Molecular Weight459.52 g/mol
Exact Mass459.15
IUPAC Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(3-methoxyphenyl)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2cccc(OC)c2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C22H25N3O6S/c1-5-30-19-11-9-18(10-12-19)25(32(27,28)22-15(2)24-31-16(22)3)14-21(26)23-17-7-6-8-20(13-17)29-4/h6-13H,5,14H2,1-4H3,(H,23,26)
InChIKeyIPTAUKAMXIUPIY-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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)acetamide?
The IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(3-methoxyphenyl)acetamide (CID 5309134) is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(3-methoxyphenyl)acetamide is CCOc1ccc(N(CC(=O)Nc2cccc(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)acetamide?
The InChIKey is IPTAUKAMXIUPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6S/c1-5-30-19-11-9-18(10-12-19)25(32(27,28)22-15(2)24-31-16(22)3)14-21(26)23-17-7-6-8-20(13-17)29-4/h6-13H,5,14H2,1-4H3,(H,23,26).
What are the key properties of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(3-methoxyphenyl)acetamide?
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 459.52 g/mol, XLogP of 3.53, 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-ethoxyanilino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 5309134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).