N'-(2-methylpropanoyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide

C16H21N3O3S — CID 43072311

IUPACN'-(2-methylpropanoyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCSc1ccc(N2CC(C(=O)NNC(=O)C(C)C)CC2=O)cc1
InChIInChI=1S/C16H21N3O3S/c1-10(2)15(21)17-18-16(22)11-8-14(20)19(9-11)12-4-6-13(23-3)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyJYVZXCKDAJZWJA-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.56
Rot. Bonds4

About N'-(2-methylpropanoyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide

N'-(2-methylpropanoyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 43072311) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N'-(2-methylpropanoyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methylpropanoyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID43072311
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN'-(2-methylpropanoyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCSc1ccc(N2CC(C(=O)NNC(=O)C(C)C)CC2=O)cc1
InChIInChI=1S/C16H21N3O3S/c1-10(2)15(21)17-18-16(22)11-8-14(20)19(9-11)12-4-6-13(23-3)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyJYVZXCKDAJZWJA-UHFFFAOYSA-N
XLogP1.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,1-bis(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55544056
N-(2-hydroxyethyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78845505
1-(4-methylsulfanylphenyl)-5-oxo-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 55979776
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 55543586
N-(2,6-dimethylphenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46634969
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55543635
N-(2,5-dichlorophenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43049525
4-[[[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119136577
N-(3-chlorophenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55544347
N-[cyclopropyl(phenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42944494
5-[[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119234133
(3S)-N-[3-(4-methylpiperazin-1-yl)propyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51932666

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropanoyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of N'-(2-methylpropanoyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide (CID 43072311) is N'-(2-methylpropanoyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for N'-(2-methylpropanoyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for N'-(2-methylpropanoyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide is CSc1ccc(N2CC(C(=O)NNC(=O)C(C)C)CC2=O)cc1.
What is the InChIKey of N'-(2-methylpropanoyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is JYVZXCKDAJZWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-10(2)15(21)17-18-16(22)11-8-14(20)19(9-11)12-4-6-13(23-3)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,17,21)(H,18,22).
What are the key properties of N'-(2-methylpropanoyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
N'-(2-methylpropanoyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 335.43 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropanoyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 43072311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).