1-(2-ethoxyphenyl)-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide

C24H28N4O5S — CID 55881506

IUPAC1-(2-ethoxyphenyl)-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1=O
InChIInChI=1S/C24H28N4O5S/c1-3-33-21-11-5-4-10-20(21)28-16-17(14-23(28)29)24(30)25-18-8-6-9-19(15-18)34(31,32)26-22-12-7-13-27(22)2/h4-6,8-11,15,17H,3,7,12-14,16H2,1-2H3,(H,25,30)/b26-22-
InChIKeyRTCWPYUSDCFUNR-ROMGYVFFSA-N
MW484.58 g/mol
LogP2.89
Rot. Bonds7

About 1-(2-ethoxyphenyl)-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide

1-(2-ethoxyphenyl)-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55881506) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55881506
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC Name1-(2-ethoxyphenyl)-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1=O
InChIInChI=1S/C24H28N4O5S/c1-3-33-21-11-5-4-10-20(21)28-16-17(14-23(28)29)24(30)25-18-8-6-9-19(15-18)34(31,32)26-22-12-7-13-27(22)2/h4-6,8-11,15,17H,3,7,12-14,16H2,1-2H3,(H,25,30)/b26-22-
InChIKeyRTCWPYUSDCFUNR-ROMGYVFFSA-N
XLogP2.89
TPSA108.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 41094134
(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 9412968
(3S)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 9412970
N-(3-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886180
(3R)-N-(3-cyanophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9245448
1-(2-ethoxyphenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886195
1-(2-methoxy-5-methylphenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 55967565
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
1-(2-ethoxyphenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55722592
(3R)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 25345375
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55711048
(3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide
CID 32838691

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyphenyl)-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide (CID 55881506) is 1-(2-ethoxyphenyl)-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1N1CC(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RTCWPYUSDCFUNR-ROMGYVFFSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-3-33-21-11-5-4-10-20(21)28-16-17(14-23(28)29)24(30)25-18-8-6-9-19(15-18)34(31,32)26-22-12-7-13-27(22)2/h4-6,8-11,15,17H,3,7,12-14,16H2,1-2H3,(H,25,30)/b26-22-.
What are the key properties of 1-(2-ethoxyphenyl)-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-ethoxyphenyl)-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 484.58 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55881506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).