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

C24H23N3O3S — CID 134024786

IUPAC1-(2-ethylphenyl)-5-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)CC1=O
InChIInChI=1S/C24H23N3O3S/c1-2-16-7-3-4-10-20(16)27-15-17(13-22(27)28)23(29)25-18-8-5-9-19(14-18)26-24(30)21-11-6-12-31-21/h3-12,14,17H,2,13,15H2,1H3,(H,25,29)(H,26,30)
InChIKeyNNFNWRWDSOLMJR-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.55
Rot. Bonds6

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

1-(2-ethylphenyl)-5-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide (PubChem CID 134024786) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-5-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethylphenyl)-5-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide
PubChem CID134024786
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name1-(2-ethylphenyl)-5-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)CC1=O
InChIInChI=1S/C24H23N3O3S/c1-2-16-7-3-4-10-20(16)27-15-17(13-22(27)28)23(29)25-18-8-5-9-19(14-18)26-24(30)21-11-6-12-31-21/h3-12,14,17H,2,13,15H2,1H3,(H,25,29)(H,26,30)
InChIKeyNNFNWRWDSOLMJR-UHFFFAOYSA-N
XLogP4.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide
CID 46408776
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
3-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9004553
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55653934
(3R)-N-(4-acetamidophenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220320
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
(3S)-N-(4-bromo-3,5-dimethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004590
N-[3,5-bis(trifluoromethyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 88954768
1-(2-ethylphenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 45020940
(3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004578
methyl 4-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 26098178
(3R)-1-(2-ethylphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9004571

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-5-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethylphenyl)-5-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide (CID 134024786) is 1-(2-ethylphenyl)-5-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethylphenyl)-5-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethylphenyl)-5-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide is CCc1ccccc1N1CC(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)CC1=O.
What is the InChIKey of 1-(2-ethylphenyl)-5-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is NNFNWRWDSOLMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-2-16-7-3-4-10-20(16)27-15-17(13-22(27)28)23(29)25-18-8-5-9-19(14-18)26-24(30)21-11-6-12-31-21/h3-12,14,17H,2,13,15H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 1-(2-ethylphenyl)-5-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide?
1-(2-ethylphenyl)-5-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-5-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 134024786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).