N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-methyl-5-oxopentan-2-yl]sulfinyl-4-methylpentanamide

C24H34N4O7S — CID 159317108

About N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-methyl-5-oxopentan-2-yl]sulfinyl-4-methylpentanamide

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-methyl-5-oxopentan-2-yl]sulfinyl-4-methylpentanamide (PubChem CID 159317108) has the molecular formula C24H34N4O7S and a molecular weight of 522.62 g/mol. Its IUPAC name is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-methyl-5-oxopentan-2-yl]sulfinyl-4-methylpentanamide.

Molecular Properties

• Compound Name: N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-methyl-5-oxopentan-2-yl]sulfinyl-4-methylpentanamide
• PubChem CID: 159317108
• Molecular Formula: C24H34N4O7S
• Molecular Weight: 522.62 g/mol
• Exact Mass: 522.21
• IUPAC Name: N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-methyl-5-oxopentan-2-yl]sulfinyl-4-methylpentanamide
• SMILES: CC(C)(CCC(=O)NCCN1C(=O)C=CC1=O)S(=O)C(C)(C)CCC(=O)NCCN1C(=O)C=CC1=O
• InChI: InChI=1S/C24H34N4O7S/c1-23(2,11-9-17(29)25-13-15-27-19(31)5-6-20(27)32)36(35)24(3,4)12-10-18(30)26-14-16-28-21(33)7-8-22(28)34/h5-8H,9-16H2,1-4H3,(H,25,29)(H,26,30)
• InChIKey: LDGWFLRPPDQPAJ-UHFFFAOYSA-N
• XLogP: -0.06
• TPSA: 150.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.62
LogP ≤ 5	-0.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-methyl-5-oxopentan-2-yl]sulfinyl-4-methylpentanamide?

The IUPAC name of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-methyl-5-oxopentan-2-yl]sulfinyl-4-methylpentanamide (CID 159317108) is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-methyl-5-oxopentan-2-yl]sulfinyl-4-methylpentanamide.

What is the SMILES notation for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-methyl-5-oxopentan-2-yl]sulfinyl-4-methylpentanamide?

The canonical SMILES for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-methyl-5-oxopentan-2-yl]sulfinyl-4-methylpentanamide is CC(C)(CCC(=O)NCCN1C(=O)C=CC1=O)S(=O)C(C)(C)CCC(=O)NCCN1C(=O)C=CC1=O.

What is the InChIKey of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-methyl-5-oxopentan-2-yl]sulfinyl-4-methylpentanamide?

The InChIKey is LDGWFLRPPDQPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O7S/c1-23(2,11-9-17(29)25-13-15-27-19(31)5-6-20(27)32)36(35)24(3,4)12-10-18(30)26-14-16-28-21(33)7-8-22(28)34/h5-8H,9-16H2,1-4H3,(H,25,29)(H,26,30).

What are the key properties of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-methyl-5-oxopentan-2-yl]sulfinyl-4-methylpentanamide?

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-methyl-5-oxopentan-2-yl]sulfinyl-4-methylpentanamide has a molecular weight of 522.62 g/mol, XLogP of -0.06, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-methyl-5-oxopentan-2-yl]sulfinyl-4-methylpentanamide is sourced from PubChem (CID 159317108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).