N'-[(3R)-1-(3-methylbutyl)-2,5-dioxopyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide

C20H28N4O5S — CID 2492854

IUPACN'-[(3R)-1-(3-methylbutyl)-2,5-dioxopyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
SMILESCC(C)CCN1C(=O)C[C@@H](NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O
InChIInChI=1S/C20H28N4O5S/c1-14(2)9-12-24-18(25)13-17(20(24)27)21-22-19(26)15-5-7-16(8-6-15)30(28,29)23-10-3-4-11-23/h5-8,14,17,21H,3-4,9-13H2,1-2H3,(H,22,26)/t17-/m1/s1
InChIKeyGHXANEXBEOADEE-QGZVFWFLSA-N
MW436.53 g/mol
LogP0.88
Rot. Bonds8

About N'-[(3R)-1-(3-methylbutyl)-2,5-dioxopyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide

N'-[(3R)-1-(3-methylbutyl)-2,5-dioxopyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide (PubChem CID 2492854) has the molecular formula C20H28N4O5S and a molecular weight of 436.53 g/mol. Its IUPAC name is N'-[(3R)-1-(3-methylbutyl)-2,5-dioxopyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[(3R)-1-(3-methylbutyl)-2,5-dioxopyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
PubChem CID2492854
Molecular FormulaC20H28N4O5S
Molecular Weight436.53 g/mol
Exact Mass436.18
IUPAC NameN'-[(3R)-1-(3-methylbutyl)-2,5-dioxopyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
SMILESCC(C)CCN1C(=O)C[C@@H](NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O
InChIInChI=1S/C20H28N4O5S/c1-14(2)9-12-24-18(25)13-17(20(24)27)21-22-19(26)15-5-7-16(8-6-15)30(28,29)23-10-3-4-11-23/h5-8,14,17,21H,3-4,9-13H2,1-2H3,(H,22,26)/t17-/m1/s1
InChIKeyGHXANEXBEOADEE-QGZVFWFLSA-N
XLogP0.88
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[(3R)-1-(3-methylbutyl)-2,5-dioxopyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(3S)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 2446641
N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26532430
(3S)-1-(3-methylbutyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 51718003
N'-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzohydrazide
CID 3766254
N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8919211
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46432914
1-methyl-6-oxo-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-4,5-dihydropyridazine-3-carbohydrazide
CID 27020251
N-[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]cyclopropanecarboxamide
CID 42952930
[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]urea
CID 24634910
N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9302382
N-[2-[acetyl(2-methylpropyl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 113052548

Frequently Asked Questions

What is the IUPAC name of N'-[(3R)-1-(3-methylbutyl)-2,5-dioxopyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of N'-[(3R)-1-(3-methylbutyl)-2,5-dioxopyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide (CID 2492854) is N'-[(3R)-1-(3-methylbutyl)-2,5-dioxopyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-[(3R)-1-(3-methylbutyl)-2,5-dioxopyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-[(3R)-1-(3-methylbutyl)-2,5-dioxopyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide is CC(C)CCN1C(=O)C[C@@H](NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O.
What is the InChIKey of N'-[(3R)-1-(3-methylbutyl)-2,5-dioxopyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide?
The InChIKey is GHXANEXBEOADEE-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N4O5S/c1-14(2)9-12-24-18(25)13-17(20(24)27)21-22-19(26)15-5-7-16(8-6-15)30(28,29)23-10-3-4-11-23/h5-8,14,17,21H,3-4,9-13H2,1-2H3,(H,22,26)/t17-/m1/s1.
What are the key properties of N'-[(3R)-1-(3-methylbutyl)-2,5-dioxopyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide?
N'-[(3R)-1-(3-methylbutyl)-2,5-dioxopyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide has a molecular weight of 436.53 g/mol, XLogP of 0.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3R)-1-(3-methylbutyl)-2,5-dioxopyrrolidin-3-yl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 2492854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).