N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylthiophene-2-carboxamide

C22H23N3O4S — CID 23859375

IUPACN-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylthiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N(C(=O)c3cccs3)C3CCCC3)C2=O)cc1
InChIInChI=1S/C22H23N3O4S/c1-14(26)23-15-8-10-17(11-9-15)25-20(27)13-18(21(25)28)24(16-5-2-3-6-16)22(29)19-7-4-12-30-19/h4,7-12,16,18H,2-3,5-6,13H2,1H3,(H,23,26)
InChIKeyILGFABOUPJSRLC-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.42
Rot. Bonds5

About N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylthiophene-2-carboxamide

N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylthiophene-2-carboxamide (PubChem CID 23859375) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylthiophene-2-carboxamide
PubChem CID23859375
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC NameN-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylthiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N(C(=O)c3cccs3)C3CCCC3)C2=O)cc1
InChIInChI=1S/C22H23N3O4S/c1-14(26)23-15-8-10-17(11-9-15)25-20(27)13-18(21(25)28)24(16-5-2-3-6-16)22(29)19-7-4-12-30-19/h4,7-12,16,18H,2-3,5-6,13H2,1H3,(H,23,26)
InChIKeyILGFABOUPJSRLC-UHFFFAOYSA-N
XLogP3.42
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 23943157
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclohexylthiophene-2-carboxamide
CID 23859377
[4-[3-[cyclohexyl(thiophene-2-carbonyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23971114
N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 25036355
methyl 4-[3-[cyclopropyl(thiophene-2-carbonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23887174
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-butan-2-ylthiophene-2-carboxamide
CID 23887189
N-[4-[3-[acetyl(cyclopropyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743710
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-4-chloro-N-cyclohexyl-3-nitrobenzamide
CID 23832186
N-[4-[3-[benzenesulfonyl(cyclopentyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743588
N-[4-[3-[cyclopentyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23970773
N-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23972519
N-tert-butyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 23859411

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylthiophene-2-carboxamide?
The IUPAC name of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylthiophene-2-carboxamide (CID 23859375) is N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylthiophene-2-carboxamide is CC(=O)Nc1ccc(N2C(=O)CC(N(C(=O)c3cccs3)C3CCCC3)C2=O)cc1.
What is the InChIKey of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylthiophene-2-carboxamide?
The InChIKey is ILGFABOUPJSRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-14(26)23-15-8-10-17(11-9-15)25-20(27)13-18(21(25)28)24(16-5-2-3-6-16)22(29)19-7-4-12-30-19/h4,7-12,16,18H,2-3,5-6,13H2,1H3,(H,23,26).
What are the key properties of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylthiophene-2-carboxamide?
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylthiophene-2-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylthiophene-2-carboxamide is sourced from PubChem (CID 23859375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).