N-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-prop-2-enylsulfamoyl]phenyl]acetamide

C22H23N3O5S — CID 23886878

IUPACN-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-prop-2-enylsulfamoyl]phenyl]acetamide
SMILESC=CCN(C1CC(=O)N(c2ccc(C)cc2)C1=O)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C22H23N3O5S/c1-4-13-24(31(29,30)19-11-7-17(8-12-19)23-16(3)26)20-14-21(27)25(22(20)28)18-9-5-15(2)6-10-18/h4-12,20H,1,13-14H2,2-3H3,(H,23,26)
InChIKeyIJSKXCPWNQENAZ-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.46
Rot. Bonds7

About N-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-prop-2-enylsulfamoyl]phenyl]acetamide

N-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-prop-2-enylsulfamoyl]phenyl]acetamide (PubChem CID 23886878) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-prop-2-enylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-prop-2-enylsulfamoyl]phenyl]acetamide
PubChem CID23886878
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC NameN-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-prop-2-enylsulfamoyl]phenyl]acetamide
SMILESC=CCN(C1CC(=O)N(c2ccc(C)cc2)C1=O)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C22H23N3O5S/c1-4-13-24(31(29,30)19-11-7-17(8-12-19)23-16(3)26)20-14-21(27)25(22(20)28)18-9-5-15(2)6-10-18/h4-12,20H,1,13-14H2,2-3H3,(H,23,26)
InChIKeyIJSKXCPWNQENAZ-UHFFFAOYSA-N
XLogP2.46
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-prop-2-enylsulfamoyl]phenyl]acetamide
CID 23998630
N-[4-[3-[(4-acetamidophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23830681
N-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(4-sulfamoylphenyl)ethyl]sulfamoyl]phenyl]acetamide
CID 25039650
N-[4-[benzyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfamoyl]phenyl]acetamide
CID 23970681
N-[4-[2,2-dimethoxyethyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide
CID 23942934
N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enylbenzenesulfonamide
CID 23830738
N-[4-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)sulfamoyl]phenyl]acetamide
CID 23970660
N-[4-[3-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743595
4-bromo-N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enylbenzenesulfonamide
CID 23772788
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-prop-2-enylbenzamide
CID 23832309
N-[4-[3-[butan-2-yl-(4-methoxyphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23914922
N-[4-[3-[cyclopentyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23970773

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-prop-2-enylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-prop-2-enylsulfamoyl]phenyl]acetamide (CID 23886878) is N-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-prop-2-enylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-prop-2-enylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-prop-2-enylsulfamoyl]phenyl]acetamide is C=CCN(C1CC(=O)N(c2ccc(C)cc2)C1=O)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-prop-2-enylsulfamoyl]phenyl]acetamide?
The InChIKey is IJSKXCPWNQENAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-4-13-24(31(29,30)19-11-7-17(8-12-19)23-16(3)26)20-14-21(27)25(22(20)28)18-9-5-15(2)6-10-18/h4-12,20H,1,13-14H2,2-3H3,(H,23,26).
What are the key properties of N-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-prop-2-enylsulfamoyl]phenyl]acetamide?
N-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-prop-2-enylsulfamoyl]phenyl]acetamide has a molecular weight of 441.51 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-prop-2-enylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 23886878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).