N-[2-(benzylamino)-2-oxoethyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide

C23H26N4O6S — CID 55676179

About N-[2-(benzylamino)-2-oxoethyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide

N-[2-(benzylamino)-2-oxoethyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide (PubChem CID 55676179) has the molecular formula C23H26N4O6S and a molecular weight of 486.55 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-(benzylamino)-2-oxoethyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide
• PubChem CID: 55676179
• Molecular Formula: C23H26N4O6S
• Molecular Weight: 486.55 g/mol
• Exact Mass: 486.16
• IUPAC Name: N-[2-(benzylamino)-2-oxoethyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide
• SMILES: O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NCC(=O)NCc1ccccc1
• InChI: InChI=1S/C23H26N4O6S/c28-21(25-16-22(29)24-15-17-6-2-1-3-7-17)10-13-27-19-9-8-18(14-20(19)33-23(27)30)34(31,32)26-11-4-5-12-26/h1-3,6-9,14H,4-5,10-13,15-16H2,(H,24,29)(H,25,28)
• InChIKey: UTNIXGCKRTYPDT-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 130.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.55
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide?

The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide (CID 55676179) is N-[2-(benzylamino)-2-oxoethyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide.

What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide?

The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide is O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NCC(=O)NCc1ccccc1.

What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide?

The InChIKey is UTNIXGCKRTYPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6S/c28-21(25-16-22(29)24-15-17-6-2-1-3-7-17)10-13-27-19-9-8-18(14-20(19)33-23(27)30)34(31,32)26-11-4-5-12-26/h1-3,6-9,14H,4-5,10-13,15-16H2,(H,24,29)(H,25,28).

What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide?

N-[2-(benzylamino)-2-oxoethyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 486.55 g/mol, XLogP of 1.20, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(benzylamino)-2-oxoethyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 55676179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).