5-oxo-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide

C22H19N3O3S — CID 46408776

IUPAC5-oxo-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)c1)c1cccs1
InChIInChI=1S/C22H19N3O3S/c26-20-12-15(14-25(20)18-8-2-1-3-9-18)21(27)23-16-6-4-7-17(13-16)24-22(28)19-10-5-11-29-19/h1-11,13,15H,12,14H2,(H,23,27)(H,24,28)
InChIKeyWLYXVVLPFPLXRA-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.99
Rot. Bonds5

About 5-oxo-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide

5-oxo-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide (PubChem CID 46408776) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 5-oxo-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide
PubChem CID46408776
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name5-oxo-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)c1)c1cccs1
InChIInChI=1S/C22H19N3O3S/c26-20-12-15(14-25(20)18-8-2-1-3-9-18)21(27)23-16-6-4-7-17(13-16)24-22(28)19-10-5-11-29-19/h1-11,13,15H,12,14H2,(H,23,27)(H,24,28)
InChIKeyWLYXVVLPFPLXRA-UHFFFAOYSA-N
XLogP3.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylphenyl)-5-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide
CID 134024786
N-(3-ethynylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46446482
N-[3-(2-methylpropanoylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2984442
(3R)-N-[3-(2-methylpropanoylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7220564
5-oxo-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17153747
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
N-(3-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687180
N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide
CID 31518537
N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120079
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1286852
(3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978656
N-(3-chlorophenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 50844713

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide (CID 46408776) is 5-oxo-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1cccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)c1)c1cccs1.
What is the InChIKey of 5-oxo-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is WLYXVVLPFPLXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c26-20-12-15(14-25(20)18-8-2-1-3-9-18)21(27)23-16-6-4-7-17(13-16)24-22(28)19-10-5-11-29-19/h1-11,13,15H,12,14H2,(H,23,27)(H,24,28).
What are the key properties of 5-oxo-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide?
5-oxo-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46408776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).