6-(1,3-dioxoisoindol-2-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]hexanamide

C25H29N3O5S — CID 108759249

IUPAC6-(1,3-dioxoisoindol-2-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C25H29N3O5S/c29-23(10-2-1-5-17-28-24(30)21-8-3-4-9-22(21)25(28)31)26-18-19-11-13-20(14-12-19)34(32,33)27-15-6-7-16-27/h3-4,8-9,11-14H,1-2,5-7,10,15-18H2,(H,26,29)
InChIKeyGALAPMYKLCOFQA-UHFFFAOYSA-N
MW483.59 g/mol
LogP2.94
Rot. Bonds10

About 6-(1,3-dioxoisoindol-2-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]hexanamide

6-(1,3-dioxoisoindol-2-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]hexanamide (PubChem CID 108759249) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is 6-(1,3-dioxoisoindol-2-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]hexanamide.

Molecular Properties

Compound Name6-(1,3-dioxoisoindol-2-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]hexanamide
PubChem CID108759249
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC Name6-(1,3-dioxoisoindol-2-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C25H29N3O5S/c29-23(10-2-1-5-17-28-24(30)21-8-3-4-9-22(21)25(28)31)26-18-19-11-13-20(14-12-19)34(32,33)27-15-6-7-16-27/h3-4,8-9,11-14H,1-2,5-7,10,15-18H2,(H,26,29)
InChIKeyGALAPMYKLCOFQA-UHFFFAOYSA-N
XLogP2.94
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]heptanamide;hydrochloride
CID 119690920
4-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide
CID 29196602
4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide
CID 55817431
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 97012048
4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 31009302
N-[4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butyl]cyclopropanecarboxamide
CID 46483108
3-(phenylcarbamoylamino)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 55737130
3-(2-fluorophenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 55737007
N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 3342078
4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide
CID 9271276
3-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 18116547
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
CID 55704601

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]hexanamide?
The IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]hexanamide (CID 108759249) is 6-(1,3-dioxoisoindol-2-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]hexanamide.
What is the SMILES notation for 6-(1,3-dioxoisoindol-2-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]hexanamide?
The canonical SMILES for 6-(1,3-dioxoisoindol-2-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]hexanamide is O=C(CCCCCN1C(=O)c2ccccc2C1=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 6-(1,3-dioxoisoindol-2-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]hexanamide?
The InChIKey is GALAPMYKLCOFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S/c29-23(10-2-1-5-17-28-24(30)21-8-3-4-9-22(21)25(28)31)26-18-19-11-13-20(14-12-19)34(32,33)27-15-6-7-16-27/h3-4,8-9,11-14H,1-2,5-7,10,15-18H2,(H,26,29).
What are the key properties of 6-(1,3-dioxoisoindol-2-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]hexanamide?
6-(1,3-dioxoisoindol-2-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]hexanamide has a molecular weight of 483.59 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxoisoindol-2-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]hexanamide is sourced from PubChem (CID 108759249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).