N-(1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide

C13H15N3O4S2 — CID 6503259

IUPACN-(1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(Nc1ccon1)c1cc(S(=O)(=O)N2CCCCC2)cs1
InChIInChI=1S/C13H15N3O4S2/c17-13(14-12-4-7-20-15-12)11-8-10(9-21-11)22(18,19)16-5-2-1-3-6-16/h4,7-9H,1-3,5-6H2,(H,14,15,17)
InChIKeyXBQUSDPJHIHVHG-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.16
Rot. Bonds4

About N-(1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide

N-(1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 6503259) has the molecular formula C13H15N3O4S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID6503259
Molecular FormulaC13H15N3O4S2
Molecular Weight341.41 g/mol
Exact Mass341.05
IUPAC NameN-(1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(Nc1ccon1)c1cc(S(=O)(=O)N2CCCCC2)cs1
InChIInChI=1S/C13H15N3O4S2/c17-13(14-12-4-7-20-15-12)11-8-10(9-21-11)22(18,19)16-5-2-1-3-6-16/h4,7-9H,1-3,5-6H2,(H,14,15,17)
InChIKeyXBQUSDPJHIHVHG-UHFFFAOYSA-N
XLogP2.16
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide (CID 6503259) is N-(1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide is O=C(Nc1ccon1)c1cc(S(=O)(=O)N2CCCCC2)cs1.
What is the InChIKey of N-(1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is XBQUSDPJHIHVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S2/c17-13(14-12-4-7-20-15-12)11-8-10(9-21-11)22(18,19)16-5-2-1-3-6-16/h4,7-9H,1-3,5-6H2,(H,14,15,17).
What are the key properties of N-(1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
N-(1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-yl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 6503259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).