N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide

C24H23N3O5S — CID 24684358

IUPACN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H23N3O5S/c1-26(33(31,32)21-11-8-18-4-2-3-5-19(18)14-21)16-22(28)25-20-9-6-17(7-10-20)15-27-23(29)12-13-24(27)30/h2-11,14H,12-13,15-16H2,1H3,(H,25,28)
InChIKeyBUHCLGKAYSSBPL-UHFFFAOYSA-N
MW465.53 g/mol
LogP2.75
Rot. Bonds7

About N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide

N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide (PubChem CID 24684358) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
PubChem CID24684358
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC NameN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H23N3O5S/c1-26(33(31,32)21-11-8-18-4-2-3-5-19(18)14-21)16-22(28)25-20-9-6-17(7-10-20)15-27-23(29)12-13-24(27)30/h2-11,14H,12-13,15-16H2,1H3,(H,25,28)
InChIKeyBUHCLGKAYSSBPL-UHFFFAOYSA-N
XLogP2.75
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 52.75
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-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2202463
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
N-(3,5-dichlorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 45375147
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 166205942
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 45375148
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide
CID 2202584
N-ethyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 27276320
N-(2,6-diethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2203258
N-(5-chloro-2-pyridinyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 27161179
N-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide
CID 3938895
N-cyclohexyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 1292427
2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 977503

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide (CID 24684358) is N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The InChIKey is BUHCLGKAYSSBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-26(33(31,32)21-11-8-18-4-2-3-5-19(18)14-21)16-22(28)25-20-9-6-17(7-10-20)15-27-23(29)12-13-24(27)30/h2-11,14H,12-13,15-16H2,1H3,(H,25,28).
What are the key properties of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide has a molecular weight of 465.53 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 24684358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).