5-oxo-1-phenyl-N-(thiophen-2-ylmethylideneamino)pyrrolidine-3-carboxamide

C16H15N3O2S — CID 2883253

IUPAC5-oxo-1-phenyl-N-(thiophen-2-ylmethylideneamino)pyrrolidine-3-carboxamide
SMILESO=C(NN=Cc1cccs1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C16H15N3O2S/c20-15-9-12(11-19(15)13-5-2-1-3-6-13)16(21)18-17-10-14-7-4-8-22-14/h1-8,10,12H,9,11H2,(H,18,21)
InChIKeyQWLKMIKMDIXLJB-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.25
Rot. Bonds4

About 5-oxo-1-phenyl-N-(thiophen-2-ylmethylideneamino)pyrrolidine-3-carboxamide

5-oxo-1-phenyl-N-(thiophen-2-ylmethylideneamino)pyrrolidine-3-carboxamide (PubChem CID 2883253) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-oxo-1-phenyl-N-(thiophen-2-ylmethylideneamino)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-phenyl-N-(thiophen-2-ylmethylideneamino)pyrrolidine-3-carboxamide
PubChem CID2883253
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name5-oxo-1-phenyl-N-(thiophen-2-ylmethylideneamino)pyrrolidine-3-carboxamide
SMILESO=C(NN=Cc1cccs1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C16H15N3O2S/c20-15-9-12(11-19(15)13-5-2-1-3-6-13)16(21)18-17-10-14-7-4-8-22-14/h1-8,10,12H,9,11H2,(H,18,21)
InChIKeyQWLKMIKMDIXLJB-UHFFFAOYSA-N
XLogP2.25
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(4-methoxyphenyl)-5-oxo-N-[(E)-thiophen-2-ylmethylideneamino]pyrrolidine-3-carboxamide
CID 6897475
N-[(4-methylphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 555109
N-[(Z)-furan-2-ylmethylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 5466613
(3R)-N-[(Z)-benzylideneamino]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 5392258
(3R)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40529880
(3R)-N-[(Z)-benzylideneamino]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126159429
(3R)-1-(4-bromophenyl)-N-[(Z)-(2-chlorophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 126162846
(3R)-1-(4-bromophenyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 126273303
(3S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7299635
(3R)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126159471
(3R)-N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 126265507
(3S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 136794190

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-phenyl-N-(thiophen-2-ylmethylideneamino)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-phenyl-N-(thiophen-2-ylmethylideneamino)pyrrolidine-3-carboxamide (CID 2883253) is 5-oxo-1-phenyl-N-(thiophen-2-ylmethylideneamino)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-phenyl-N-(thiophen-2-ylmethylideneamino)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-phenyl-N-(thiophen-2-ylmethylideneamino)pyrrolidine-3-carboxamide is O=C(NN=Cc1cccs1)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 5-oxo-1-phenyl-N-(thiophen-2-ylmethylideneamino)pyrrolidine-3-carboxamide?
The InChIKey is QWLKMIKMDIXLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-15-9-12(11-19(15)13-5-2-1-3-6-13)16(21)18-17-10-14-7-4-8-22-14/h1-8,10,12H,9,11H2,(H,18,21).
What are the key properties of 5-oxo-1-phenyl-N-(thiophen-2-ylmethylideneamino)pyrrolidine-3-carboxamide?
5-oxo-1-phenyl-N-(thiophen-2-ylmethylideneamino)pyrrolidine-3-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-phenyl-N-(thiophen-2-ylmethylideneamino)pyrrolidine-3-carboxamide is sourced from PubChem (CID 2883253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).