2,4-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-oxazole-5-carboxamide

C12H15N3O4S2 — CID 79884277

IUPAC2,4-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCc2ccc(S(N)(=O)=O)s2)o1
InChIInChI=1S/C12H15N3O4S2/c1-7-11(19-8(2)15-7)12(16)14-6-5-9-3-4-10(20-9)21(13,17)18/h3-4H,5-6H2,1-2H3,(H,14,16)(H2,13,17,18)
InChIKeyAUEDXPOEWUYYSX-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.97
Rot. Bonds5

About 2,4-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-oxazole-5-carboxamide

2,4-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-oxazole-5-carboxamide (PubChem CID 79884277) has the molecular formula C12H15N3O4S2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-oxazole-5-carboxamide
PubChem CID79884277
Molecular FormulaC12H15N3O4S2
Molecular Weight329.40 g/mol
Exact Mass329.05
IUPAC Name2,4-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCc2ccc(S(N)(=O)=O)s2)o1
InChIInChI=1S/C12H15N3O4S2/c1-7-11(19-8(2)15-7)12(16)14-6-5-9-3-4-10(20-9)21(13,17)18/h3-4H,5-6H2,1-2H3,(H,14,16)(H2,13,17,18)
InChIKeyAUEDXPOEWUYYSX-UHFFFAOYSA-N
XLogP0.97
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-oxazole-5-carboxamide (CID 79884277) is 2,4-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NCCc2ccc(S(N)(=O)=O)s2)o1.
What is the InChIKey of 2,4-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-oxazole-5-carboxamide?
The InChIKey is AUEDXPOEWUYYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S2/c1-7-11(19-8(2)15-7)12(16)14-6-5-9-3-4-10(20-9)21(13,17)18/h3-4H,5-6H2,1-2H3,(H,14,16)(H2,13,17,18).
What are the key properties of 2,4-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-oxazole-5-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 79884277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).