2-(1,3-dioxoisoindol-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

C21H21N3O6S — CID 3340504

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H21N3O6S/c1-14(24-20(26)17-4-2-3-5-18(17)21(24)27)19(25)22-15-6-8-16(9-7-15)31(28,29)23-10-12-30-13-11-23/h2-9,14H,10-13H2,1H3,(H,22,25)
InChIKeyRUTXRJNEGHNNEZ-UHFFFAOYSA-N
MW443.48 g/mol
LogP1.33
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

2-(1,3-dioxoisoindol-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 3340504) has the molecular formula C21H21N3O6S and a molecular weight of 443.48 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID3340504
Molecular FormulaC21H21N3O6S
Molecular Weight443.48 g/mol
Exact Mass443.12
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H21N3O6S/c1-14(24-20(26)17-4-2-3-5-18(17)21(24)27)19(25)22-15-6-8-16(9-7-15)31(28,29)23-10-12-30-13-11-23/h2-9,14H,10-13H2,1H3,(H,22,25)
InChIKeyRUTXRJNEGHNNEZ-UHFFFAOYSA-N
XLogP1.33
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 51.33
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

2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 55374352
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 6599964
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
CID 3340600
(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 8704322
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide
CID 55944611
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456
(2S)-N-[4-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 8917851
N-(4-morpholin-4-ylsulfonylphenyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
CID 46301341
2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2983188
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 680388
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylphenyl)propanamide
CID 7940676
(2R)-N-(4-morpholin-4-ylsulfonylphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 1320672

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 3340504) is 2-(1,3-dioxoisoindol-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is CC(C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is RUTXRJNEGHNNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O6S/c1-14(24-20(26)17-4-2-3-5-18(17)21(24)27)19(25)22-15-6-8-16(9-7-15)31(28,29)23-10-12-30-13-11-23/h2-9,14H,10-13H2,1H3,(H,22,25).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 443.48 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 3340504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).