3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide

C23H25N3O5S — CID 31512558

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)cc2)CC1
InChIInChI=1S/C23H25N3O5S/c1-16-11-13-25(14-12-16)32(30,31)20-7-5-18(6-8-20)24-23(29)17-3-2-4-19(15-17)26-21(27)9-10-22(26)28/h2-8,15-16H,9-14H2,1H3,(H,24,29)
InChIKeyRKYKGLFVCMVMDS-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.01
Rot. Bonds5

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide (PubChem CID 31512558) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
PubChem CID31512558
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)cc2)CC1
InChIInChI=1S/C23H25N3O5S/c1-16-11-13-25(14-12-16)32(30,31)20-7-5-18(6-8-20)24-23(29)17-3-2-4-19(15-17)26-21(27)9-10-22(26)28/h2-8,15-16H,9-14H2,1H3,(H,24,29)
InChIKeyRKYKGLFVCMVMDS-UHFFFAOYSA-N
XLogP3.01
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.01
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-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-nitrobenzamide
CID 1011635
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(methylsulfanylmethyl)benzamide
CID 9328413
1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxopyridine-4-carboxamide
CID 39991070
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 18274530
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
4-(4-methylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269172
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 31493862
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9033710
N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142671
3-(azepan-1-ylsulfonyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559304
2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1186574

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide (CID 31512558) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)cc2)CC1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is RKYKGLFVCMVMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-16-11-13-25(14-12-16)32(30,31)20-7-5-18(6-8-20)24-23(29)17-3-2-4-19(15-17)26-21(27)9-10-22(26)28/h2-8,15-16H,9-14H2,1H3,(H,24,29).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 455.54 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 31512558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).