N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide

C25H30N2O5S — CID 23743675

IUPACN-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCCOc1ccc(N2C(=O)CC(N(C3CC3)S(=O)(=O)c3c(C)c(C)cc(C)c3C)C2=O)cc1
InChIInChI=1S/C25H30N2O5S/c1-6-32-21-11-9-19(10-12-21)26-23(28)14-22(25(26)29)27(20-7-8-20)33(30,31)24-17(4)15(2)13-16(3)18(24)5/h9-13,20,22H,6-8,14H2,1-5H3
InChIKeyOFNKJYNZABRVDM-UHFFFAOYSA-N
MW470.59 g/mol
LogP3.80
Rot. Bonds7

About N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide

N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 23743675) has the molecular formula C25H30N2O5S and a molecular weight of 470.59 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID23743675
Molecular FormulaC25H30N2O5S
Molecular Weight470.59 g/mol
Exact Mass470.19
IUPAC NameN-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCCOc1ccc(N2C(=O)CC(N(C3CC3)S(=O)(=O)c3c(C)c(C)cc(C)c3C)C2=O)cc1
InChIInChI=1S/C25H30N2O5S/c1-6-32-21-11-9-19(10-12-21)26-23(28)14-22(25(26)29)27(20-7-8-20)33(30,31)24-17(4)15(2)13-16(3)18(24)5/h9-13,20,22H,6-8,14H2,1-5H3
InChIKeyOFNKJYNZABRVDM-UHFFFAOYSA-N
XLogP3.80
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 23830752
N-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 23830750
N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23942969
N-cyclopropyl-4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23970823
N-tert-butyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 23914825
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropyl-4-methoxybenzenesulfonamide
CID 23886844
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2,2-dimethoxyethyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 23743631
3-[cyclopropylmethyl(propyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 2927404
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 23859178
N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzenesulfonamide
CID 23914964
ethyl 4-[3-[(4-bromophenyl)sulfonyl-cyclopropylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23970720
(3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 930931

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 23743675) is N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide is CCOc1ccc(N2C(=O)CC(N(C3CC3)S(=O)(=O)c3c(C)c(C)cc(C)c3C)C2=O)cc1.
What is the InChIKey of N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is OFNKJYNZABRVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5S/c1-6-32-21-11-9-19(10-12-21)26-23(28)14-22(25(26)29)27(20-7-8-20)33(30,31)24-17(4)15(2)13-16(3)18(24)5/h9-13,20,22H,6-8,14H2,1-5H3.
What are the key properties of N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 470.59 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 23743675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).