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

C23H27N3O6S — CID 23914922

IUPACN-[4-[3-[butan-2-yl-(4-methoxyphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCCC(C)N(C1CC(=O)N(c2ccc(NC(C)=O)cc2)C1=O)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H27N3O6S/c1-5-15(2)26(33(30,31)20-12-10-19(32-4)11-13-20)21-14-22(28)25(23(21)29)18-8-6-17(7-9-18)24-16(3)27/h6-13,15,21H,5,14H2,1-4H3,(H,24,27)
InChIKeyGELCXZSYVHGMOZ-UHFFFAOYSA-N
MW473.55 g/mol
LogP2.77
Rot. Bonds8

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

N-[4-[3-[butan-2-yl-(4-methoxyphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (PubChem CID 23914922) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is N-[4-[3-[butan-2-yl-(4-methoxyphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[butan-2-yl-(4-methoxyphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
PubChem CID23914922
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC NameN-[4-[3-[butan-2-yl-(4-methoxyphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCCC(C)N(C1CC(=O)N(c2ccc(NC(C)=O)cc2)C1=O)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H27N3O6S/c1-5-15(2)26(33(30,31)20-12-10-19(32-4)11-13-20)21-14-22(28)25(23(21)29)18-8-6-17(7-9-18)24-16(3)27/h6-13,15,21H,5,14H2,1-4H3,(H,24,27)
InChIKeyGELCXZSYVHGMOZ-UHFFFAOYSA-N
XLogP2.77
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 52.77
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-[4-[2,2-dimethoxyethyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide
CID 23942934
N-butan-2-yl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23802013
N-[4-[3-[acetyl(butan-2-yl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743730
N-[4-[3-[(4-acetamidophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23830681
[4-[3-[2,2-dimethoxyethyl-(4-methoxyphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23970745
N-butan-2-yl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 23858960
N-[4-[benzyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfamoyl]phenyl]acetamide
CID 23970681
N-butan-2-yl-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide
CID 23772778
N-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-prop-2-enylsulfamoyl]phenyl]acetamide
CID 23886878
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-4-methoxybenzamide
CID 23972483
3-(4-methoxyphenyl)-1-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(4-methoxyphenyl)methyl]urea
CID 27871428
N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743594

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[butan-2-yl-(4-methoxyphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[butan-2-yl-(4-methoxyphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (CID 23914922) is N-[4-[3-[butan-2-yl-(4-methoxyphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[butan-2-yl-(4-methoxyphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[butan-2-yl-(4-methoxyphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is CCC(C)N(C1CC(=O)N(c2ccc(NC(C)=O)cc2)C1=O)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[4-[3-[butan-2-yl-(4-methoxyphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The InChIKey is GELCXZSYVHGMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-5-15(2)26(33(30,31)20-12-10-19(32-4)11-13-20)21-14-22(28)25(23(21)29)18-8-6-17(7-9-18)24-16(3)27/h6-13,15,21H,5,14H2,1-4H3,(H,24,27).
What are the key properties of N-[4-[3-[butan-2-yl-(4-methoxyphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
N-[4-[3-[butan-2-yl-(4-methoxyphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide has a molecular weight of 473.55 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[butan-2-yl-(4-methoxyphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 23914922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).