N,2-dimethyl-3-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzamide

C23H26N4O6S — CID 55660502

About N,2-dimethyl-3-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzamide

N,2-dimethyl-3-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzamide (PubChem CID 55660502) has the molecular formula C23H26N4O6S and a molecular weight of 486.55 g/mol. Its IUPAC name is N,2-dimethyl-3-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzamide.

Molecular Properties

• Compound Name: N,2-dimethyl-3-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzamide
• PubChem CID: 55660502
• Molecular Formula: C23H26N4O6S
• Molecular Weight: 486.55 g/mol
• Exact Mass: 486.16
• IUPAC Name: N,2-dimethyl-3-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzamide
• SMILES: CNC(=O)c1cccc(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)c1C
• InChI: InChI=1S/C23H26N4O6S/c1-15-17(22(29)24-2)6-5-7-18(15)25-21(28)10-13-27-19-9-8-16(14-20(19)33-23(27)30)34(31,32)26-11-3-4-12-26/h5-9,14H,3-4,10-13H2,1-2H3,(H,24,29)(H,25,28)
• InChIKey: PBEBXAUWIOOFCP-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 130.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.55
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzamide?

The IUPAC name of N,2-dimethyl-3-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzamide (CID 55660502) is N,2-dimethyl-3-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzamide.

What is the SMILES notation for N,2-dimethyl-3-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzamide?

The canonical SMILES for N,2-dimethyl-3-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzamide is CNC(=O)c1cccc(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)c1C.

What is the InChIKey of N,2-dimethyl-3-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzamide?

The InChIKey is PBEBXAUWIOOFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6S/c1-15-17(22(29)24-2)6-5-7-18(15)25-21(28)10-13-27-19-9-8-16(14-20(19)33-23(27)30)34(31,32)26-11-3-4-12-26/h5-9,14H,3-4,10-13H2,1-2H3,(H,24,29)(H,25,28).

What are the key properties of N,2-dimethyl-3-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzamide?

N,2-dimethyl-3-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzamide has a molecular weight of 486.55 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,2-dimethyl-3-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]benzamide is sourced from PubChem (CID 55660502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).