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

C22H25N3O5S — CID 3244009

IUPAC2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C22H25N3O5S/c1-5-29-20-9-7-6-8-19(20)23-21(26)14-25(18-12-10-15(2)11-13-18)31(27,28)22-16(3)24-30-17(22)4/h6-13H,5,14H2,1-4H3,(H,23,26)
InChIKeyJNJIIKLGKSGCNI-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.83
Rot. Bonds8

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

2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-ethoxyphenyl)acetamide (PubChem CID 3244009) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-ethoxyphenyl)acetamide
PubChem CID3244009
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C22H25N3O5S/c1-5-29-20-9-7-6-8-19(20)23-21(26)14-25(18-12-10-15(2)11-13-18)31(27,28)22-16(3)24-30-17(22)4/h6-13H,5,14H2,1-4H3,(H,23,26)
InChIKeyJNJIIKLGKSGCNI-UHFFFAOYSA-N
XLogP3.83
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-ethoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-ethoxyphenyl)acetamide (CID 3244009) is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)noc1C.
What is the InChIKey of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is JNJIIKLGKSGCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-5-29-20-9-7-6-8-19(20)23-21(26)14-25(18-12-10-15(2)11-13-18)31(27,28)22-16(3)24-30-17(22)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-methylanilino]-N-(2-ethoxyphenyl)acetamide?
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 443.53 g/mol, XLogP of 3.83, 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-methylanilino]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 3244009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).