N-[4-[3-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide

C23H20FN3O6S — CID 23743595

IUPACN-[4-[3-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N(Cc3ccco3)S(=O)(=O)c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C23H20FN3O6S/c1-15(28)25-17-6-8-18(9-7-17)27-22(29)13-21(23(27)30)26(14-19-3-2-12-33-19)34(31,32)20-10-4-16(24)5-11-20/h2-12,21H,13-14H2,1H3,(H,25,28)
InChIKeyYMHVAGBSCWXZMF-UHFFFAOYSA-N
MW485.49 g/mol
LogP2.90
Rot. Bonds7

About N-[4-[3-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide

N-[4-[3-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (PubChem CID 23743595) has the molecular formula C23H20FN3O6S and a molecular weight of 485.49 g/mol. Its IUPAC name is N-[4-[3-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
PubChem CID23743595
Molecular FormulaC23H20FN3O6S
Molecular Weight485.49 g/mol
Exact Mass485.11
IUPAC NameN-[4-[3-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N(Cc3ccco3)S(=O)(=O)c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C23H20FN3O6S/c1-15(28)25-17-6-8-18(9-7-17)27-22(29)13-21(23(27)30)26(14-19-3-2-12-33-19)34(31,32)20-10-4-16(24)5-11-20/h2-12,21H,13-14H2,1H3,(H,25,28)
InChIKeyYMHVAGBSCWXZMF-UHFFFAOYSA-N
XLogP2.90
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 23743564
N-[4-[benzyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfamoyl]phenyl]acetamide
CID 23970681
N-[4-[3-[(4-acetamidophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23830681
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 3121019
N-[4-[[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide
CID 23886921
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 23998468
N-[4-[3-[cyclopentyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23970773
N-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 1364893
4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 23942870
N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743594
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 23745219
N-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-prop-2-enylsulfamoyl]phenyl]acetamide
CID 23886878

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (CID 23743595) is N-[4-[3-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)CC(N(Cc3ccco3)S(=O)(=O)c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of N-[4-[3-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The InChIKey is YMHVAGBSCWXZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O6S/c1-15(28)25-17-6-8-18(9-7-17)27-22(29)13-21(23(27)30)26(14-19-3-2-12-33-19)34(31,32)20-10-4-16(24)5-11-20/h2-12,21H,13-14H2,1H3,(H,25,28).
What are the key properties of N-[4-[3-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
N-[4-[3-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide has a molecular weight of 485.49 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 23743595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).