4-amino-2-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)isoindole-1,3-dione

C20H19N3O6S — CID 2119478

IUPAC4-amino-2-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)isoindole-1,3-dione
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C20H19N3O6S/c1-12-5-6-13(30(27,28)22-7-9-29-10-8-22)11-15(12)19(25)23-18(24)14-3-2-4-16(21)17(14)20(23)26/h2-6,11H,7-10,21H2,1H3
InChIKeyUSVOWHZUYRCNTO-UHFFFAOYSA-N
MW429.45 g/mol
LogP1.03
Rot. Bonds3

About 4-amino-2-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)isoindole-1,3-dione

4-amino-2-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)isoindole-1,3-dione (PubChem CID 2119478) has the molecular formula C20H19N3O6S and a molecular weight of 429.45 g/mol. Its IUPAC name is 4-amino-2-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)isoindole-1,3-dione
PubChem CID2119478
Molecular FormulaC20H19N3O6S
Molecular Weight429.45 g/mol
Exact Mass429.10
IUPAC Name4-amino-2-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)isoindole-1,3-dione
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C20H19N3O6S/c1-12-5-6-13(30(27,28)22-7-9-29-10-8-22)11-15(12)19(25)23-18(24)14-3-2-4-16(21)17(14)20(23)26/h2-6,11H,7-10,21H2,1H3
InChIKeyUSVOWHZUYRCNTO-UHFFFAOYSA-N
XLogP1.03
TPSA127.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 4850277
(2,6-dimethylmorpholin-4-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 24982968
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 26590808
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 8802995
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 8803000
2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 34584461
(2-methoxy-2-oxoethyl) 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 16568663
3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 23761201
(2-methyl-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 27445751
[2-(N-methylanilino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2478788
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide
CID 9094453
4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)aniline
CID 110454136

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)isoindole-1,3-dione?
The IUPAC name of 4-amino-2-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)isoindole-1,3-dione (CID 2119478) is 4-amino-2-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)isoindole-1,3-dione is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C(=O)c2cccc(N)c2C1=O.
What is the InChIKey of 4-amino-2-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)isoindole-1,3-dione?
The InChIKey is USVOWHZUYRCNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O6S/c1-12-5-6-13(30(27,28)22-7-9-29-10-8-22)11-15(12)19(25)23-18(24)14-3-2-4-16(21)17(14)20(23)26/h2-6,11H,7-10,21H2,1H3.
What are the key properties of 4-amino-2-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)isoindole-1,3-dione?
4-amino-2-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)isoindole-1,3-dione has a molecular weight of 429.45 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)isoindole-1,3-dione is sourced from PubChem (CID 2119478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).