4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]benzenesulfonamide

C19H20N2O5S — CID 22695567

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccccc1CCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C19H20N2O5S/c1-26-17-5-3-2-4-14(17)12-13-20-27(24,25)16-8-6-15(7-9-16)21-18(22)10-11-19(21)23/h2-9,20H,10-13H2,1H3
InChIKeyRGNSZEHNDHHSNT-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.87
Rot. Bonds7

About 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]benzenesulfonamide

4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 22695567) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID22695567
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccccc1CCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C19H20N2O5S/c1-26-17-5-3-2-4-14(17)12-13-20-27(24,25)16-8-6-15(7-9-16)21-18(22)10-11-19(21)23/h2-9,20H,10-13H2,1H3
InChIKeyRGNSZEHNDHHSNT-UHFFFAOYSA-N
XLogP1.87
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.87
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-[2-(2-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695522
N-[2-(2-methoxyphenyl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide
CID 110372328
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 22695565
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110415642
N-[(2-chlorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 22695558
4-(2,5-dioxopyrrolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 100540260
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 55560014
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 55907776
N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide
CID 110787683
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 122252851
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-methylphenyl)propyl]benzenesulfonamide
CID 100539839
N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide
CID 28567796

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]benzenesulfonamide (CID 22695567) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]benzenesulfonamide is COc1ccccc1CCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is RGNSZEHNDHHSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-26-17-5-3-2-4-14(17)12-13-20-27(24,25)16-8-6-15(7-9-16)21-18(22)10-11-19(21)23/h2-9,20H,10-13H2,1H3.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]benzenesulfonamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 388.45 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 22695567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).