N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide

C17H23N3O4S2 — CID 33173707

About N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide

N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 33173707) has the molecular formula C17H23N3O4S2 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
• PubChem CID: 33173707
• Molecular Formula: C17H23N3O4S2
• Molecular Weight: 397.52 g/mol
• Exact Mass: 397.11
• IUPAC Name: N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
• SMILES: Cc1noc(C(C)C)c1C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
• InChI: InChI=1S/C17H23N3O4S2/c1-11(2)16-15(12(3)18-24-16)17(21)20-8-6-13(7-9-20)19-26(22,23)14-5-4-10-25-14/h4-5,10-11,13,19H,6-9H2,1-3H3
• InChIKey: NEVJZJLLNJSLOE-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 92.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.52
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide?

The IUPAC name of N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide (CID 33173707) is N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide.

What is the SMILES notation for N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide?

The canonical SMILES for N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide is Cc1noc(C(C)C)c1C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1.

What is the InChIKey of N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide?

The InChIKey is NEVJZJLLNJSLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S2/c1-11(2)16-15(12(3)18-24-16)17(21)20-8-6-13(7-9-20)19-26(22,23)14-5-4-10-25-14/h4-5,10-11,13,19H,6-9H2,1-3H3.

What are the key properties of N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide?

N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 397.52 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 33173707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).