methyl (3R)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylate

C19H20N2O6S — CID 100804998

IUPACmethyl (3R)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)C1
InChIInChI=1S/C19H20N2O6S/c1-26-16-7-3-14(4-8-16)20-28(24,25)17-9-5-15(6-10-17)21-12-13(11-18(21)22)19(23)27-2/h3-10,13,20H,11-12H2,1-2H3/t13-/m1/s1
InChIKeyAUPSSGXPJJDOFW-CYBMUJFWSA-N
MW404.44 g/mol
LogP2.02
Rot. Bonds6

About methyl (3R)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylate

methyl (3R)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylate (PubChem CID 100804998) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is methyl (3R)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylate
PubChem CID100804998
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Namemethyl (3R)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)C1
InChIInChI=1S/C19H20N2O6S/c1-26-16-7-3-14(4-8-16)20-28(24,25)17-9-5-15(6-10-17)21-12-13(11-18(21)22)19(23)27-2/h3-10,13,20H,11-12H2,1-2H3/t13-/m1/s1
InChIKeyAUPSSGXPJJDOFW-CYBMUJFWSA-N
XLogP2.02
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (3R)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
(3R)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30873940
(4-methoxyphenyl) (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057140
1-(4-methoxyphenyl)-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17321737
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3R)-1-(4-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 40963809
(3R)-1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40932410
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785629
N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46465356
[2-(4-methoxyanilino)-2-oxoethyl] (3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 1084072
methyl 5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 10084873
N-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 94091199

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl (3R)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylate (CID 100804998) is methyl (3R)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3R)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3R)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylate is COC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)C1.
What is the InChIKey of methyl (3R)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is AUPSSGXPJJDOFW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-26-16-7-3-14(4-8-16)20-28(24,25)17-9-5-15(6-10-17)21-12-13(11-18(21)22)19(23)27-2/h3-10,13,20H,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of methyl (3R)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylate?
methyl (3R)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 404.44 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 100804998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).