1-(2-methoxy-5-methylphenyl)-5-oxo-N'-(thiophene-2-carbonyl)pyrrolidine-3-carbohydrazide

C18H19N3O4S — CID 17479982

IUPAC1-(2-methoxy-5-methylphenyl)-5-oxo-N'-(thiophene-2-carbonyl)pyrrolidine-3-carbohydrazide
SMILESCOc1ccc(C)cc1N1CC(C(=O)NNC(=O)c2cccs2)CC1=O
InChIInChI=1S/C18H19N3O4S/c1-11-5-6-14(25-2)13(8-11)21-10-12(9-16(21)22)17(23)19-20-18(24)15-4-3-7-26-15/h3-8,12H,9-10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyUXKSZXUOWLPMCP-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.88
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-5-oxo-N'-(thiophene-2-carbonyl)pyrrolidine-3-carbohydrazide

1-(2-methoxy-5-methylphenyl)-5-oxo-N'-(thiophene-2-carbonyl)pyrrolidine-3-carbohydrazide (PubChem CID 17479982) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-5-oxo-N'-(thiophene-2-carbonyl)pyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-5-oxo-N'-(thiophene-2-carbonyl)pyrrolidine-3-carbohydrazide
PubChem CID17479982
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name1-(2-methoxy-5-methylphenyl)-5-oxo-N'-(thiophene-2-carbonyl)pyrrolidine-3-carbohydrazide
SMILESCOc1ccc(C)cc1N1CC(C(=O)NNC(=O)c2cccs2)CC1=O
InChIInChI=1S/C18H19N3O4S/c1-11-5-6-14(25-2)13(8-11)21-10-12(9-16(21)22)17(23)19-20-18(24)15-4-3-7-26-15/h3-8,12H,9-10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyUXKSZXUOWLPMCP-UHFFFAOYSA-N
XLogP1.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-5-oxo-N'-(thiophene-2-carbonyl)pyrrolidine-3-carbohydrazide?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-5-oxo-N'-(thiophene-2-carbonyl)pyrrolidine-3-carbohydrazide (CID 17479982) is 1-(2-methoxy-5-methylphenyl)-5-oxo-N'-(thiophene-2-carbonyl)pyrrolidine-3-carbohydrazide.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-5-oxo-N'-(thiophene-2-carbonyl)pyrrolidine-3-carbohydrazide?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-5-oxo-N'-(thiophene-2-carbonyl)pyrrolidine-3-carbohydrazide is COc1ccc(C)cc1N1CC(C(=O)NNC(=O)c2cccs2)CC1=O.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-5-oxo-N'-(thiophene-2-carbonyl)pyrrolidine-3-carbohydrazide?
The InChIKey is UXKSZXUOWLPMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-11-5-6-14(25-2)13(8-11)21-10-12(9-16(21)22)17(23)19-20-18(24)15-4-3-7-26-15/h3-8,12H,9-10H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-5-oxo-N'-(thiophene-2-carbonyl)pyrrolidine-3-carbohydrazide?
1-(2-methoxy-5-methylphenyl)-5-oxo-N'-(thiophene-2-carbonyl)pyrrolidine-3-carbohydrazide has a molecular weight of 373.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-5-oxo-N'-(thiophene-2-carbonyl)pyrrolidine-3-carbohydrazide is sourced from PubChem (CID 17479982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).