N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide

C22H23N3O5S — CID 56507308

IUPACN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H23N3O5S/c1-2-13-31(29,30)24-12-6-11-19(24)20(26)23-15-7-5-8-16(14-15)25-21(27)17-9-3-4-10-18(17)22(25)28/h3-5,7-10,14,19H,2,6,11-13H2,1H3,(H,23,26)
InChIKeyTWFXUJPLKLKHOK-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.63
Rot. Bonds6

About N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 56507308) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID56507308
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H23N3O5S/c1-2-13-31(29,30)24-12-6-11-19(24)20(26)23-15-7-5-8-16(14-15)25-21(27)17-9-3-4-10-18(17)22(25)28/h3-5,7-10,14,19H,2,6,11-13H2,1H3,(H,23,26)
InChIKeyTWFXUJPLKLKHOK-UHFFFAOYSA-N
XLogP2.63
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240451
N-[3-(5-methyltetrazol-1-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55679425
N-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 42929323
N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide
CID 55515725
N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55819863
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide
CID 56508448
(2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 35740935
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propane-1-sulfonamide
CID 110352271
N-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240453
(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 51962204
N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55429765

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide (CID 56507308) is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is TWFXUJPLKLKHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-2-13-31(29,30)24-12-6-11-19(24)20(26)23-15-7-5-8-16(14-15)25-21(27)17-9-3-4-10-18(17)22(25)28/h3-5,7-10,14,19H,2,6,11-13H2,1H3,(H,23,26).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56507308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).