N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C26H33N3O5S — CID 23830645

IUPACN-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCN2CCOCC2)C2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1
InChIInChI=1S/C26H33N3O5S/c1-19(2)21-6-8-22(9-7-21)29-25(30)18-24(26(29)31)28(13-12-27-14-16-34-17-15-27)35(32,33)23-10-4-20(3)5-11-23/h4-11,19,24H,12-18H2,1-3H3
InChIKeyIQWWUZUWFMOIDV-UHFFFAOYSA-N
MW499.63 g/mol
LogP2.77
Rot. Bonds8

About N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 23830645) has the molecular formula C26H33N3O5S and a molecular weight of 499.63 g/mol. Its IUPAC name is N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID23830645
Molecular FormulaC26H33N3O5S
Molecular Weight499.63 g/mol
Exact Mass499.21
IUPAC NameN-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCN2CCOCC2)C2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1
InChIInChI=1S/C26H33N3O5S/c1-19(2)21-6-8-22(9-7-21)29-25(30)18-24(26(29)31)28(13-12-27-14-16-34-17-15-27)35(32,33)23-10-4-20(3)5-11-23/h4-11,19,24H,12-18H2,1-3H3
InChIKeyIQWWUZUWFMOIDV-UHFFFAOYSA-N
XLogP2.77
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.63
LogP ≤ 52.77
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-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 23830636
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 23888617
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide
CID 23942748
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 23859022
4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 23743652
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 23743564
4-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)benzenesulfonamide
CID 23998649
4-bromo-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 23830634
ethyl 4-[3-[2-morpholin-4-ylethyl(thiophen-2-ylsulfonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23772688
4-chloro-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide
CID 23860640
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 23998488
N-cyclopropyl-4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23970823

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 23830645) is N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCN2CCOCC2)C2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1.
What is the InChIKey of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is IQWWUZUWFMOIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5S/c1-19(2)21-6-8-22(9-7-21)29-25(30)18-24(26(29)31)28(13-12-27-14-16-34-17-15-27)35(32,33)23-10-4-20(3)5-11-23/h4-11,19,24H,12-18H2,1-3H3.
What are the key properties of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 499.63 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 23830645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).