N'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide

C16H17N3O2S — CID 51124417

IUPACN'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide
SMILESO=C(NNC(=O)N1CCCC1c1ccsc1)c1ccccc1
InChIInChI=1S/C16H17N3O2S/c20-15(12-5-2-1-3-6-12)17-18-16(21)19-9-4-7-14(19)13-8-10-22-11-13/h1-3,5-6,8,10-11,14H,4,7,9H2,(H,17,20)(H,18,21)
InChIKeyZURONLYBGKOBCZ-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.94
Rot. Bonds2

About N'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide

N'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide (PubChem CID 51124417) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide
PubChem CID51124417
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide
SMILESO=C(NNC(=O)N1CCCC1c1ccsc1)c1ccccc1
InChIInChI=1S/C16H17N3O2S/c20-15(12-5-2-1-3-6-12)17-18-16(21)19-9-4-7-14(19)13-8-10-22-11-13/h1-3,5-6,8,10-11,14H,4,7,9H2,(H,17,20)(H,18,21)
InChIKeyZURONLYBGKOBCZ-UHFFFAOYSA-N
XLogP2.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
3-[(2-thiophen-3-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019398
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
(2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94054166
(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 100836452
(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082
cis-(1R,2S)-2-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124675357
(2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94103812
2,2-dimethyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
CID 64591656
(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 42961741
1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
CID 102544384

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide?
The IUPAC name of N'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide (CID 51124417) is N'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide.
What is the SMILES notation for N'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide?
The canonical SMILES for N'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide is O=C(NNC(=O)N1CCCC1c1ccsc1)c1ccccc1.
What is the InChIKey of N'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide?
The InChIKey is ZURONLYBGKOBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-15(12-5-2-1-3-6-12)17-18-16(21)19-9-4-7-14(19)13-8-10-22-11-13/h1-3,5-6,8,10-11,14H,4,7,9H2,(H,17,20)(H,18,21).
What are the key properties of N'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide?
N'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide has a molecular weight of 315.40 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide is sourced from PubChem (CID 51124417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).