N-(4-anilinophenyl)-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide

C23H23N3O2S — CID 22051473

IUPACN-(4-anilinophenyl)-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)C1CC(=O)N(CCc2cccs2)C1
InChIInChI=1S/C23H23N3O2S/c27-22-15-17(16-26(22)13-12-21-7-4-14-29-21)23(28)25-20-10-8-19(9-11-20)24-18-5-2-1-3-6-18/h1-11,14,17,24H,12-13,15-16H2,(H,25,28)
InChIKeyRZSRHTLLKYACMW-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.52
Rot. Bonds7

About N-(4-anilinophenyl)-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide

N-(4-anilinophenyl)-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 22051473) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-(4-anilinophenyl)-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
PubChem CID22051473
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-(4-anilinophenyl)-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)C1CC(=O)N(CCc2cccs2)C1
InChIInChI=1S/C23H23N3O2S/c27-22-15-17(16-26(22)13-12-21-7-4-14-29-21)23(28)25-20-10-8-19(9-11-20)24-18-5-2-1-3-6-18/h1-11,14,17,24H,12-13,15-16H2,(H,25,28)
InChIKeyRZSRHTLLKYACMW-UHFFFAOYSA-N
XLogP4.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108787376
N-(4-acetamidophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42997175
(3R)-1-(2-methoxyethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 94045996
(3S)-N-(4-fluorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 9100479
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 22051514
N-[3-[(dimethylamino)methyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 86931938
(3R)-5-oxo-1-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7922412
(3R)-N-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9373980
N-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 2815650
1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 4782295
(3S)-1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7830959
(3S)-5-oxo-1-(2-phenylethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 2471735

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-anilinophenyl)-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide (CID 22051473) is N-(4-anilinophenyl)-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-anilinophenyl)-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-anilinophenyl)-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide is O=C(Nc1ccc(Nc2ccccc2)cc1)C1CC(=O)N(CCc2cccs2)C1.
What is the InChIKey of N-(4-anilinophenyl)-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is RZSRHTLLKYACMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c27-22-15-17(16-26(22)13-12-21-7-4-14-29-21)23(28)25-20-10-8-19(9-11-20)24-18-5-2-1-3-6-18/h1-11,14,17,24H,12-13,15-16H2,(H,25,28).
What are the key properties of N-(4-anilinophenyl)-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
N-(4-anilinophenyl)-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 22051473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).