1-(2-methoxy-5-methylphenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide

C24H28N4O5S — CID 55967565

IUPAC1-(2-methoxy-5-methylphenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1CC(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1=O
InChIInChI=1S/C24H28N4O5S/c1-16-6-11-21(33-3)20(13-16)28-15-17(14-23(28)29)24(30)25-18-7-9-19(10-8-18)34(31,32)26-22-5-4-12-27(22)2/h6-11,13,17H,4-5,12,14-15H2,1-3H3,(H,25,30)/b26-22-
InChIKeyZFWGANHUKAPWEE-ROMGYVFFSA-N
MW484.58 g/mol
LogP2.81
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide

1-(2-methoxy-5-methylphenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55967565) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55967565
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1CC(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1=O
InChIInChI=1S/C24H28N4O5S/c1-16-6-11-21(33-3)20(13-16)28-15-17(14-23(28)29)24(30)25-18-7-9-19(10-8-18)34(31,32)26-22-5-4-12-27(22)2/h6-11,13,17H,4-5,12,14-15H2,1-3H3,(H,25,30)/b26-22-
InChIKeyZFWGANHUKAPWEE-ROMGYVFFSA-N
XLogP2.81
TPSA108.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 52.81
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-methoxy-5-methylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 41025656
(3R)-1-(2-methoxy-5-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41025725
1-(2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 43025512
1-(2-ethoxyphenyl)-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 55881506
(3S)-1-(2-methoxy-5-methylphenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94179751
(3S)-1-(2-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 2118403
N-(2-hydroxy-5-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108801213
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55798283
1-(2,4-dimethylphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 17152230
1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 55597121
(1R,5R)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 98664489
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 41025446

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide (CID 55967565) is 1-(2-methoxy-5-methylphenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(C)cc1N1CC(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1=O.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZFWGANHUKAPWEE-ROMGYVFFSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-16-6-11-21(33-3)20(13-16)28-15-17(14-23(28)29)24(30)25-18-7-9-19(10-8-18)34(31,32)26-22-5-4-12-27(22)2/h6-11,13,17H,4-5,12,14-15H2,1-3H3,(H,25,30)/b26-22-.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-methoxy-5-methylphenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 484.58 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55967565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).