2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide

C18H20N4O4S2 — CID 21051269

IUPAC2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(N(C)C(=O)Cc2ccc(-c3c(C)noc3C)cc2)sc1S(N)(=O)=O
InChIInChI=1S/C18H20N4O4S2/c1-10-16(12(3)26-21-10)14-7-5-13(6-8-14)9-15(23)22(4)18-20-11(2)17(27-18)28(19,24)25/h5-8H,9H2,1-4H3,(H2,19,24,25)
InChIKeyWHZVFNVODGNJPE-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.58
Rot. Bonds5

About 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide

2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide (PubChem CID 21051269) has the molecular formula C18H20N4O4S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide
PubChem CID21051269
Molecular FormulaC18H20N4O4S2
Molecular Weight420.52 g/mol
Exact Mass420.09
IUPAC Name2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(N(C)C(=O)Cc2ccc(-c3c(C)noc3C)cc2)sc1S(N)(=O)=O
InChIInChI=1S/C18H20N4O4S2/c1-10-16(12(3)26-21-10)14-7-5-13(6-8-14)9-15(23)22(4)18-20-11(2)17(27-18)28(19,24)25/h5-8H,9H2,1-4H3,(H2,19,24,25)
InChIKeyWHZVFNVODGNJPE-UHFFFAOYSA-N
XLogP2.58
TPSA119.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide (CID 21051269) is 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide is Cc1nc(N(C)C(=O)Cc2ccc(-c3c(C)noc3C)cc2)sc1S(N)(=O)=O.
What is the InChIKey of 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is WHZVFNVODGNJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S2/c1-10-16(12(3)26-21-10)14-7-5-13(6-8-14)9-15(23)22(4)18-20-11(2)17(27-18)28(19,24)25/h5-8H,9H2,1-4H3,(H2,19,24,25).
What are the key properties of 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide?
2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 420.52 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 21051269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).