3-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,2-oxazole-5-carboxamide

C11H13N3O4S2 — CID 47152765

IUPAC3-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2cc(C)no2)s1
InChIInChI=1S/C11H13N3O4S2/c1-7-5-9(18-14-7)11(15)13-6-8-3-4-10(19-8)20(16,17)12-2/h3-5,12H,6H2,1-2H3,(H,13,15)
InChIKeyBWIPPHWKUNGSKW-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.88
Rot. Bonds5

About 3-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,2-oxazole-5-carboxamide

3-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 47152765) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID47152765
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC Name3-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2cc(C)no2)s1
InChIInChI=1S/C11H13N3O4S2/c1-7-5-9(18-14-7)11(15)13-6-8-3-4-10(19-8)20(16,17)12-2/h3-5,12H,6H2,1-2H3,(H,13,15)
InChIKeyBWIPPHWKUNGSKW-UHFFFAOYSA-N
XLogP0.88
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,2-oxazole-5-carboxamide (CID 47152765) is 3-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,2-oxazole-5-carboxamide is CNS(=O)(=O)c1ccc(CNC(=O)c2cc(C)no2)s1.
What is the InChIKey of 3-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is BWIPPHWKUNGSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S2/c1-7-5-9(18-14-7)11(15)13-6-8-3-4-10(19-8)20(16,17)12-2/h3-5,12H,6H2,1-2H3,(H,13,15).
What are the key properties of 3-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 47152765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).