N-(2-ethoxy-3-pyridinyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide

C21H24N4O6S — CID 55678788

About N-(2-ethoxy-3-pyridinyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide

N-(2-ethoxy-3-pyridinyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide (PubChem CID 55678788) has the molecular formula C21H24N4O6S and a molecular weight of 460.51 g/mol. Its IUPAC name is N-(2-ethoxy-3-pyridinyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

• Compound Name: N-(2-ethoxy-3-pyridinyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide
• PubChem CID: 55678788
• Molecular Formula: C21H24N4O6S
• Molecular Weight: 460.51 g/mol
• Exact Mass: 460.14
• IUPAC Name: N-(2-ethoxy-3-pyridinyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide
• SMILES: CCOc1ncccc1NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21
• InChI: InChI=1S/C21H24N4O6S/c1-2-30-20-16(6-5-10-22-20)23-19(26)9-13-25-17-8-7-15(14-18(17)31-21(25)27)32(28,29)24-11-3-4-12-24/h5-8,10,14H,2-4,9,11-13H2,1H3,(H,23,26)
• InChIKey: NJEQJEYUSKELKZ-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 123.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.51
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-3-pyridinyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide?

The IUPAC name of N-(2-ethoxy-3-pyridinyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide (CID 55678788) is N-(2-ethoxy-3-pyridinyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide.

What is the SMILES notation for N-(2-ethoxy-3-pyridinyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide?

The canonical SMILES for N-(2-ethoxy-3-pyridinyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide is CCOc1ncccc1NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21.

What is the InChIKey of N-(2-ethoxy-3-pyridinyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide?

The InChIKey is NJEQJEYUSKELKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O6S/c1-2-30-20-16(6-5-10-22-20)23-19(26)9-13-25-17-8-7-15(14-18(17)31-21(25)27)32(28,29)24-11-3-4-12-24/h5-8,10,14H,2-4,9,11-13H2,1H3,(H,23,26).

What are the key properties of N-(2-ethoxy-3-pyridinyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide?

N-(2-ethoxy-3-pyridinyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 460.51 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethoxy-3-pyridinyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 55678788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).