4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide

C13H17N3O4S2 — CID 6503197

IUPAC4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1csc(C(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C13H17N3O4S2/c1-4-16(5-2)22(18,19)10-7-11(21-8-10)13(17)14-12-6-9(3)20-15-12/h6-8H,4-5H2,1-3H3,(H,14,15,17)
InChIKeyJQJOPUHUESSYOY-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.33
Rot. Bonds6

About 4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide

4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide (PubChem CID 6503197) has the molecular formula C13H17N3O4S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
PubChem CID6503197
Molecular FormulaC13H17N3O4S2
Molecular Weight343.43 g/mol
Exact Mass343.07
IUPAC Name4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1csc(C(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C13H17N3O4S2/c1-4-16(5-2)22(18,19)10-7-11(21-8-10)13(17)14-12-6-9(3)20-15-12/h6-8H,4-5H2,1-3H3,(H,14,15,17)
InChIKeyJQJOPUHUESSYOY-UHFFFAOYSA-N
XLogP2.33
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide (CID 6503197) is 4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide is CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2cc(C)on2)c1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide?
The InChIKey is JQJOPUHUESSYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S2/c1-4-16(5-2)22(18,19)10-7-11(21-8-10)13(17)14-12-6-9(3)20-15-12/h6-8H,4-5H2,1-3H3,(H,14,15,17).
What are the key properties of 4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide?
4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 6503197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).