4-[3-(2-hydrazinyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-2,2,4-trimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide

C23H42N4O4S — CID 143938618

IUPAC4-[3-(2-hydrazinyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-2,2,4-trimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(C)(C)CC(C)(C)N1C(=O)CC(SCC(C=O)NN)C1=O
InChIInChI=1S/C23H42N4O4S/c1-20(2,3)13-22(6,7)25-19(31)21(4,5)14-23(8,9)27-17(29)10-16(18(27)30)32-12-15(11-28)26-24/h11,15-16,26H,10,12-14,24H2,1-9H3,(H,25,31)
InChIKeyZRTGWKTUBJELPA-UHFFFAOYSA-N
MW470.68 g/mol
LogP2.40
Rot. Bonds11

About 4-[3-(2-hydrazinyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-2,2,4-trimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide

4-[3-(2-hydrazinyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-2,2,4-trimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide (PubChem CID 143938618) has the molecular formula C23H42N4O4S and a molecular weight of 470.68 g/mol. Its IUPAC name is 4-[3-(2-hydrazinyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-2,2,4-trimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide.

Molecular Properties

Compound Name4-[3-(2-hydrazinyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-2,2,4-trimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide
PubChem CID143938618
Molecular FormulaC23H42N4O4S
Molecular Weight470.68 g/mol
Exact Mass470.29
IUPAC Name4-[3-(2-hydrazinyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-2,2,4-trimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(C)(C)CC(C)(C)N1C(=O)CC(SCC(C=O)NN)C1=O
InChIInChI=1S/C23H42N4O4S/c1-20(2,3)13-22(6,7)25-19(31)21(4,5)14-23(8,9)27-17(29)10-16(18(27)30)32-12-15(11-28)26-24/h11,15-16,26H,10,12-14,24H2,1-9H3,(H,25,31)
InChIKeyZRTGWKTUBJELPA-UHFFFAOYSA-N
XLogP2.40
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.68
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[3-(2-hydrazinyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-2,2,4-trimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide with MolForge

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Related Compounds

4-[3-(2,3-dihydroxypropylsulfanyl)-2,5-dioxopyrrolidin-1-yl]-2,2-dimethyl-N-(2,4,4,5-tetramethylhexan-2-yl)pentanamide
CID 142428064
2,2,4-trimethyl-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)pentanoyl iodide
CID 155374910
N-[1-(1-tert-butyl-2,5-dioxopyrrolidin-3-yl)sulfanylpropan-2-yl]acetamide;formamide
CID 145189441
ethane;2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide
CID 144952637
1-tert-butyl-3-(2,2-dimethylpropylsulfanyl)pyrrolidine-2,5-dione
CID 71127217
N-(5-amino-2,4,4-trimethyl-6-oxohexan-2-yl)-2-[3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)-3-methylbutoxy]propanamide
CID 145402100
3-(1-tert-butyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-N-methylpropanamide
CID 171560856
4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,4-trimethylpentanoyl iodide
CID 156889459
[4,4-dimethyl-5-[2-(3-methylbutanoylamino)ethylamino]-5-oxopentan-2-yl]sulfanylformic acid;3-[1-(4-hydroxy-2-methylbutan-2-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-2-(methylamino)propanamide
CID 145279266
1-tert-butyl-3-propylsulfanylpyrrolidine-2,5-dione
CID 59289440
3-tert-butylsulfanyl-1-(2-methylbutan-2-yl)pyrrolidine-2,5-dione
CID 143369174
1-tert-butyl-3-(methylsulfanylmethylsulfanyl)pyrrolidine-2,5-dione
CID 139436846

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydrazinyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-2,2,4-trimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide?
The IUPAC name of 4-[3-(2-hydrazinyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-2,2,4-trimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide (CID 143938618) is 4-[3-(2-hydrazinyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-2,2,4-trimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide.
What is the SMILES notation for 4-[3-(2-hydrazinyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-2,2,4-trimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide?
The canonical SMILES for 4-[3-(2-hydrazinyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-2,2,4-trimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide is CC(C)(C)CC(C)(C)NC(=O)C(C)(C)CC(C)(C)N1C(=O)CC(SCC(C=O)NN)C1=O.
What is the InChIKey of 4-[3-(2-hydrazinyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-2,2,4-trimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide?
The InChIKey is ZRTGWKTUBJELPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N4O4S/c1-20(2,3)13-22(6,7)25-19(31)21(4,5)14-23(8,9)27-17(29)10-16(18(27)30)32-12-15(11-28)26-24/h11,15-16,26H,10,12-14,24H2,1-9H3,(H,25,31).
What are the key properties of 4-[3-(2-hydrazinyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-2,2,4-trimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide?
4-[3-(2-hydrazinyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-2,2,4-trimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide has a molecular weight of 470.68 g/mol, XLogP of 2.40, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydrazinyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-2,2,4-trimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide is sourced from PubChem (CID 143938618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).