N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide

C26H23N3O5S — CID 23943161

IUPACN-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(CCN(C(=O)c2cccs2)C2CC(=O)N(c3ccc(C#N)cc3)C2=O)cc1OC
InChIInChI=1S/C26H23N3O5S/c1-33-21-10-7-17(14-22(21)34-2)11-12-28(26(32)23-4-3-13-35-23)20-15-24(30)29(25(20)31)19-8-5-18(16-27)6-9-19/h3-10,13-14,20H,11-12,15H2,1-2H3
InChIKeyIJIJUCCDDDBGMK-UHFFFAOYSA-N
MW489.55 g/mol
LogP3.65
Rot. Bonds8

About N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide

N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 23943161) has the molecular formula C26H23N3O5S and a molecular weight of 489.55 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide
PubChem CID23943161
Molecular FormulaC26H23N3O5S
Molecular Weight489.55 g/mol
Exact Mass489.14
IUPAC NameN-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(CCN(C(=O)c2cccs2)C2CC(=O)N(c3ccc(C#N)cc3)C2=O)cc1OC
InChIInChI=1S/C26H23N3O5S/c1-33-21-10-7-17(14-22(21)34-2)11-12-28(26(32)23-4-3-13-35-23)20-15-24(30)29(25(20)31)19-8-5-18(16-27)6-9-19/h3-10,13-14,20H,11-12,15H2,1-2H3
InChIKeyIJIJUCCDDDBGMK-UHFFFAOYSA-N
XLogP3.65
TPSA99.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 23998892
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 1044893
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 51459921
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(2-phenylethyl)benzamide
CID 23832245
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]benzamide
CID 3851775
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]propanamide
CID 1109209
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanamide
CID 1044879
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 23916419
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzamide
CID 23888600
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 23886722
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 25049619
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]propanamide
CID 92541380

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide (CID 23943161) is N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide is COc1ccc(CCN(C(=O)c2cccs2)C2CC(=O)N(c3ccc(C#N)cc3)C2=O)cc1OC.
What is the InChIKey of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is IJIJUCCDDDBGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5S/c1-33-21-10-7-17(14-22(21)34-2)11-12-28(26(32)23-4-3-13-35-23)20-15-24(30)29(25(20)31)19-8-5-18(16-27)6-9-19/h3-10,13-14,20H,11-12,15H2,1-2H3.
What are the key properties of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide?
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 489.55 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 23943161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).