(3R)-1-(3-chloro-2-methylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylanilino)pyrrolidine-2,5-dione

C22H24ClN3O6S — CID 41153875

IUPAC(3R)-1-(3-chloro-2-methylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylanilino)pyrrolidine-2,5-dione
SMILESCOc1ccc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H24ClN3O6S/c1-14-16(23)4-3-5-18(14)26-21(27)13-17(22(26)28)24-15-6-7-19(31-2)20(12-15)33(29,30)25-8-10-32-11-9-25/h3-7,12,17,24H,8-11,13H2,1-2H3/t17-/m1/s1
InChIKeyMEGBVTMJKDYSBJ-QGZVFWFLSA-N
MW493.97 g/mol
LogP2.42
Rot. Bonds6

About (3R)-1-(3-chloro-2-methylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylanilino)pyrrolidine-2,5-dione

(3R)-1-(3-chloro-2-methylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylanilino)pyrrolidine-2,5-dione (PubChem CID 41153875) has the molecular formula C22H24ClN3O6S and a molecular weight of 493.97 g/mol. Its IUPAC name is (3R)-1-(3-chloro-2-methylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(3-chloro-2-methylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylanilino)pyrrolidine-2,5-dione
PubChem CID41153875
Molecular FormulaC22H24ClN3O6S
Molecular Weight493.97 g/mol
Exact Mass493.11
IUPAC Name(3R)-1-(3-chloro-2-methylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylanilino)pyrrolidine-2,5-dione
SMILESCOc1ccc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H24ClN3O6S/c1-14-16(23)4-3-5-18(14)26-21(27)13-17(22(26)28)24-15-6-7-19(31-2)20(12-15)33(29,30)25-8-10-32-11-9-25/h3-7,12,17,24H,8-11,13H2,1-2H3/t17-/m1/s1
InChIKeyMEGBVTMJKDYSBJ-QGZVFWFLSA-N
XLogP2.42
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.97
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (3R)-1-(3-chloro-2-methylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylanilino)pyrrolidine-2,5-dione 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

2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26417504
(3R)-3-(3,4-dichloroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 93235214
(3S)-1-(2,3-dichlorophenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione
CID 51860344
N-[(1S)-1-(2,6-difluorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylaniline
CID 97020537
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 99940211
1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine
CID 91669996
3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 42992279
2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26438859
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456
(3S)-1-(3-chloro-4-methoxyphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 7509360

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chloro-2-methylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(3-chloro-2-methylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylanilino)pyrrolidine-2,5-dione (CID 41153875) is (3R)-1-(3-chloro-2-methylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(3-chloro-2-methylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(3-chloro-2-methylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylanilino)pyrrolidine-2,5-dione is COc1ccc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (3R)-1-(3-chloro-2-methylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylanilino)pyrrolidine-2,5-dione?
The InChIKey is MEGBVTMJKDYSBJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24ClN3O6S/c1-14-16(23)4-3-5-18(14)26-21(27)13-17(22(26)28)24-15-6-7-19(31-2)20(12-15)33(29,30)25-8-10-32-11-9-25/h3-7,12,17,24H,8-11,13H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-1-(3-chloro-2-methylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylanilino)pyrrolidine-2,5-dione?
(3R)-1-(3-chloro-2-methylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylanilino)pyrrolidine-2,5-dione has a molecular weight of 493.97 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chloro-2-methylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 41153875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).