N-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide

C23H27N3O6S — CID 24867438

IUPACN-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCCCOc1ccc(N2C(=O)C[C@@H](N(Cc3ccc(S(N)(=O)=O)cc3)C(=O)CC)C2=O)cc1
InChIInChI=1S/C23H27N3O6S/c1-3-13-32-18-9-7-17(8-10-18)26-22(28)14-20(23(26)29)25(21(27)4-2)15-16-5-11-19(12-6-16)33(24,30)31/h5-12,20H,3-4,13-15H2,1-2H3,(H2,24,30,31)/t20-/m1/s1
InChIKeyGHKCSIBLMLLHTB-HXUWFJFHSA-N
MW473.55 g/mol
LogP2.19
Rot. Bonds9

About N-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide

N-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 24867438) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is N-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID24867438
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC NameN-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCCCOc1ccc(N2C(=O)C[C@@H](N(Cc3ccc(S(N)(=O)=O)cc3)C(=O)CC)C2=O)cc1
InChIInChI=1S/C23H27N3O6S/c1-3-13-32-18-9-7-17(8-10-18)26-22(28)14-20(23(26)29)25(21(27)4-2)15-16-5-11-19(12-6-16)33(24,30)31/h5-12,20H,3-4,13-15H2,1-2H3,(H2,24,30,31)/t20-/m1/s1
InChIKeyGHKCSIBLMLLHTB-HXUWFJFHSA-N
XLogP2.19
TPSA127.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 52.19
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-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 5081940
N-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 1109187
N-[1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 3121054
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]propanamide
CID 92541380
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CID 25043221
4-[[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-prop-2-enylamino]-4-oxobutanoate
CID 7190681
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 25043936
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-(1,3-benzodioxol-5-ylmethyl)-N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]acetamide
CID 2867351
N-benzyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-methylbenzamide
CID 25046463

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of N-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 24867438) is N-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for N-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for N-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide is CCCOc1ccc(N2C(=O)C[C@@H](N(Cc3ccc(S(N)(=O)=O)cc3)C(=O)CC)C2=O)cc1.
What is the InChIKey of N-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is GHKCSIBLMLLHTB-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-3-13-32-18-9-7-17(8-10-18)26-22(28)14-20(23(26)29)25(21(27)4-2)15-16-5-11-19(12-6-16)33(24,30)31/h5-12,20H,3-4,13-15H2,1-2H3,(H2,24,30,31)/t20-/m1/s1.
What are the key properties of N-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide?
N-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 473.55 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 24867438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).