N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide

C22H25N3O6S — CID 5081940

IUPACN-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCCOc1ccc(N2C(=O)CC(N(Cc3ccc(S(N)(=O)=O)cc3)C(=O)CC)C2=O)cc1
InChIInChI=1S/C22H25N3O6S/c1-3-20(26)24(14-15-5-11-18(12-6-15)32(23,29)30)19-13-21(27)25(22(19)28)16-7-9-17(10-8-16)31-4-2/h5-12,19H,3-4,13-14H2,1-2H3,(H2,23,29,30)
InChIKeyCZARRRXFIVHKMI-UHFFFAOYSA-N
MW459.52 g/mol
LogP1.80
Rot. Bonds8

About N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide

N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 5081940) has the molecular formula C22H25N3O6S and a molecular weight of 459.52 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID5081940
Molecular FormulaC22H25N3O6S
Molecular Weight459.52 g/mol
Exact Mass459.15
IUPAC NameN-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCCOc1ccc(N2C(=O)CC(N(Cc3ccc(S(N)(=O)=O)cc3)C(=O)CC)C2=O)cc1
InChIInChI=1S/C22H25N3O6S/c1-3-20(26)24(14-15-5-11-18(12-6-15)32(23,29)30)19-13-21(27)25(22(19)28)16-7-9-17(10-8-16)31-4-2/h5-12,19H,3-4,13-14H2,1-2H3,(H2,23,29,30)
InChIKeyCZARRRXFIVHKMI-UHFFFAOYSA-N
XLogP1.80
TPSA127.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 24867438
N-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 1109187
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CID 25043221
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 23859178
N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23887067
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 23802029
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 3121023
N-[1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 3121054
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 25043936
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]propanamide
CID 1044879
N-benzyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-methylbenzamide
CID 25046463
ethyl 4-[3-[cyclopropanecarbonyl-[2-(4-sulfamoylphenyl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 25043609

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 5081940) is N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide is CCOc1ccc(N2C(=O)CC(N(Cc3ccc(S(N)(=O)=O)cc3)C(=O)CC)C2=O)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is CZARRRXFIVHKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6S/c1-3-20(26)24(14-15-5-11-18(12-6-15)32(23,29)30)19-13-21(27)25(22(19)28)16-7-9-17(10-8-16)31-4-2/h5-12,19H,3-4,13-14H2,1-2H3,(H2,23,29,30).
What are the key properties of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide?
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 459.52 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 5081940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).