N-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide

C25H30N2O6S — CID 23830750

IUPACN-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
SMILESCCOc1ccc(N2C(=O)CC(N(C3CCCCC3)S(=O)(=O)c3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C25H30N2O6S/c1-3-33-21-11-9-18(10-12-21)26-24(28)17-23(25(26)29)27(19-7-5-4-6-8-19)34(30,31)22-15-13-20(32-2)14-16-22/h9-16,19,23H,3-8,17H2,1-2H3
InChIKeyNNAWXZDNTFADLZ-UHFFFAOYSA-N
MW486.59 g/mol
LogP3.75
Rot. Bonds8

About N-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide

N-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide (PubChem CID 23830750) has the molecular formula C25H30N2O6S and a molecular weight of 486.59 g/mol. Its IUPAC name is N-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
PubChem CID23830750
Molecular FormulaC25H30N2O6S
Molecular Weight486.59 g/mol
Exact Mass486.18
IUPAC NameN-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
SMILESCCOc1ccc(N2C(=O)CC(N(C3CCCCC3)S(=O)(=O)c3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C25H30N2O6S/c1-3-33-21-11-9-18(10-12-21)26-24(28)17-23(25(26)29)27(19-7-5-4-6-8-19)34(30,31)22-15-13-20(32-2)14-16-22/h9-16,19,23H,3-8,17H2,1-2H3
InChIKeyNNAWXZDNTFADLZ-UHFFFAOYSA-N
XLogP3.75
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzenesulfonamide
CID 23914964
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropyl-4-methoxybenzenesulfonamide
CID 23886844
N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 23743675
ethyl 4-[3-[(4-bromophenyl)sulfonyl-cyclohexylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23743528
N-cyclohexyl-4-fluoro-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23942728
N-cyclopropyl-4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23970823
N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 23802000
N-cycloheptyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 23916411
methyl 4-[3-[(4-acetamidophenyl)sulfonyl-cycloheptylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23772649
4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbenzenesulfonamide
CID 23859050
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbenzenesulfonamide
CID 23801871
N-cyclopentyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-methoxybenzamide
CID 25037158

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide (CID 23830750) is N-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide is CCOc1ccc(N2C(=O)CC(N(C3CCCCC3)S(=O)(=O)c3ccc(OC)cc3)C2=O)cc1.
What is the InChIKey of N-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide?
The InChIKey is NNAWXZDNTFADLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O6S/c1-3-33-21-11-9-18(10-12-21)26-24(28)17-23(25(26)29)27(19-7-5-4-6-8-19)34(30,31)22-15-13-20(32-2)14-16-22/h9-16,19,23H,3-8,17H2,1-2H3.
What are the key properties of N-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide?
N-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide has a molecular weight of 486.59 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 23830750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).