N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide

C23H25N3O6S — CID 55612922

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide (PubChem CID 55612922) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide
• PubChem CID: 55612922
• Molecular Formula: C23H25N3O6S
• Molecular Weight: 471.54 g/mol
• Exact Mass: 471.15
• IUPAC Name: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide
• SMILES: O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NCC1Cc2ccccc2O1
• InChI: InChI=1S/C23H25N3O6S/c27-22(24-15-17-13-16-5-1-2-6-20(16)31-17)9-12-26-19-8-7-18(14-21(19)32-23(26)28)33(29,30)25-10-3-4-11-25/h1-2,5-8,14,17H,3-4,9-13,15H2,(H,24,27)
• InChIKey: UYYHAQYEKWNKGI-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 110.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.54
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide (CID 55612922) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide.

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

The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide is O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NCC1Cc2ccccc2O1.

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

The InChIKey is UYYHAQYEKWNKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S/c27-22(24-15-17-13-16-5-1-2-6-20(16)31-17)9-12-26-19-8-7-18(14-21(19)32-23(26)28)33(29,30)25-10-3-4-11-25/h1-2,5-8,14,17H,3-4,9-13,15H2,(H,24,27).

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

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 471.54 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 55612922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).