(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide

C19H21N3O5S — CID 41025656

IUPAC(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1=O
InChIInChI=1S/C19H21N3O5S/c1-12-3-8-17(27-2)16(9-12)22-11-13(10-18(22)23)19(24)21-14-4-6-15(7-5-14)28(20,25)26/h3-9,13H,10-11H2,1-2H3,(H,21,24)(H2,20,25,26)/t13-/m1/s1
InChIKeyOPNKNXFXHYMENG-CYBMUJFWSA-N
MW403.46 g/mol
LogP1.64
Rot. Bonds5

About (3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide

(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide (PubChem CID 41025656) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is (3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
PubChem CID41025656
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1=O
InChIInChI=1S/C19H21N3O5S/c1-12-3-8-17(27-2)16(9-12)22-11-13(10-18(22)23)19(24)21-14-4-6-15(7-5-14)28(20,25)26/h3-9,13H,10-11H2,1-2H3,(H,21,24)(H2,20,25,26)/t13-/m1/s1
InChIKeyOPNKNXFXHYMENG-CYBMUJFWSA-N
XLogP1.64
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 17151831
1-(2,4-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 17152088
1-(2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 43025512
(3R)-1-(2-methoxy-5-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41025725
1-(2-methoxy-5-methylphenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 55967565
N-(2-hydroxy-5-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108801213
(3S)-1-(2-methoxy-5-methylphenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94179751
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55798283
(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 40991014
(3R)-N-[6-(dimethylamino)-3-pyridinyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30273084
1-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191496
(3S)-N-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8885963

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide (CID 41025656) is (3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide is COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1=O.
What is the InChIKey of (3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is OPNKNXFXHYMENG-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-12-3-8-17(27-2)16(9-12)22-11-13(10-18(22)23)19(24)21-14-4-6-15(7-5-14)28(20,25)26/h3-9,13H,10-11H2,1-2H3,(H,21,24)(H2,20,25,26)/t13-/m1/s1.
What are the key properties of (3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 41025656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).