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

C18H20N4O5S2 — CID 5309129

IUPAC2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2nccs2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C18H20N4O5S2/c1-4-26-15-7-5-14(6-8-15)22(11-16(23)20-18-19-9-10-28-18)29(24,25)17-12(2)21-27-13(17)3/h5-10H,4,11H2,1-3H3,(H,19,20,23)
InChIKeyLUPAZAFRDZAWAD-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.98
Rot. Bonds8

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

2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 5309129) has the molecular formula C18H20N4O5S2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID5309129
Molecular FormulaC18H20N4O5S2
Molecular Weight436.52 g/mol
Exact Mass436.09
IUPAC Name2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2nccs2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C18H20N4O5S2/c1-4-26-15-7-5-14(6-8-15)22(11-16(23)20-18-19-9-10-28-18)29(24,25)17-12(2)21-27-13(17)3/h5-10H,4,11H2,1-3H3,(H,19,20,23)
InChIKeyLUPAZAFRDZAWAD-UHFFFAOYSA-N
XLogP2.98
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(1,3-thiazol-2-yl)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-ethoxyanilino]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(1,3-thiazol-2-yl)acetamide (CID 5309129) is 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(1,3-thiazol-2-yl)acetamide is CCOc1ccc(N(CC(=O)Nc2nccs2)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-(1,3-thiazol-2-yl)acetamide?
The InChIKey is LUPAZAFRDZAWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5S2/c1-4-26-15-7-5-14(6-8-15)22(11-16(23)20-18-19-9-10-28-18)29(24,25)17-12(2)21-27-13(17)3/h5-10H,4,11H2,1-3H3,(H,19,20,23).
What are the key properties of 2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(1,3-thiazol-2-yl)acetamide?
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 436.52 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 8 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-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 5309129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).