N-[4-[3-[cyclopentyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide

C23H24FN3O5S — CID 23970773

IUPACN-[4-[3-[cyclopentyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N(C3CCCC3)S(=O)(=O)c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C23H24FN3O5S/c1-15(28)25-17-8-10-18(11-9-17)26-22(29)14-21(23(26)30)27(19-4-2-3-5-19)33(31,32)20-12-6-16(24)7-13-20/h6-13,19,21H,2-5,14H2,1H3,(H,25,28)
InChIKeySLNJJNGPXZMXIC-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.05
Rot. Bonds6

About N-[4-[3-[cyclopentyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide

N-[4-[3-[cyclopentyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (PubChem CID 23970773) has the molecular formula C23H24FN3O5S and a molecular weight of 473.53 g/mol. Its IUPAC name is N-[4-[3-[cyclopentyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[cyclopentyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
PubChem CID23970773
Molecular FormulaC23H24FN3O5S
Molecular Weight473.53 g/mol
Exact Mass473.14
IUPAC NameN-[4-[3-[cyclopentyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N(C3CCCC3)S(=O)(=O)c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C23H24FN3O5S/c1-15(28)25-17-8-10-18(11-9-17)26-22(29)14-21(23(26)30)27(19-4-2-3-5-19)33(31,32)20-12-6-16(24)7-13-20/h6-13,19,21H,2-5,14H2,1H3,(H,25,28)
InChIKeySLNJJNGPXZMXIC-UHFFFAOYSA-N
XLogP3.05
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.05
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-[4-[3-[benzenesulfonyl(cyclopentyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743588
methyl 4-[3-[(4-acetamidophenyl)sulfonyl-cycloheptylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23772649
N-cyclohexyl-4-fluoro-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23942728
N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 23802000
N-[4-[3-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743595
N-cyclopropyl-4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23970823
N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzenesulfonamide
CID 23914964
N-[4-[3-[acetyl(cyclopropyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743710
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbenzenesulfonamide
CID 23801871
N-[4-[3-[(4-acetamidophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23830681
N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743594
N-[4-[benzyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfamoyl]phenyl]acetamide
CID 23970681

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[cyclopentyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[cyclopentyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (CID 23970773) is N-[4-[3-[cyclopentyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[cyclopentyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[cyclopentyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)CC(N(C3CCCC3)S(=O)(=O)c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of N-[4-[3-[cyclopentyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The InChIKey is SLNJJNGPXZMXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O5S/c1-15(28)25-17-8-10-18(11-9-17)26-22(29)14-21(23(26)30)27(19-4-2-3-5-19)33(31,32)20-12-6-16(24)7-13-20/h6-13,19,21H,2-5,14H2,1H3,(H,25,28).
What are the key properties of N-[4-[3-[cyclopentyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
N-[4-[3-[cyclopentyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide has a molecular weight of 473.53 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[cyclopentyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 23970773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).