3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide

C25H22N2O5S — CID 19219033

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(N(C(=O)CCN2C(=O)c3ccccc3C2=O)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H22N2O5S/c1-17-7-11-19(12-8-17)27(33(31,32)20-13-9-18(2)10-14-20)23(28)15-16-26-24(29)21-5-3-4-6-22(21)25(26)30/h3-14H,15-16H2,1-2H3
InChIKeyAZGVPJXSSDGSSM-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.71
Rot. Bonds6

About 3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide

3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide (PubChem CID 19219033) has the molecular formula C25H22N2O5S and a molecular weight of 462.53 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide
PubChem CID19219033
Molecular FormulaC25H22N2O5S
Molecular Weight462.53 g/mol
Exact Mass462.12
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(N(C(=O)CCN2C(=O)c3ccccc3C2=O)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H22N2O5S/c1-17-7-11-19(12-8-17)27(33(31,32)20-13-9-18(2)10-14-20)23(28)15-16-26-24(29)21-5-3-4-6-22(21)25(26)30/h3-14H,15-16H2,1-2H3
InChIKeyAZGVPJXSSDGSSM-UHFFFAOYSA-N
XLogP3.71
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butylphenyl)-6-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylhexanamide
CID 19219107
N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonyl-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 19219040
N-(4-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonylacetamide
CID 19219016
N-(4-chlorophenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)hexanamide
CID 19219104
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-[2-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 11813935
N-(4-chlorophenyl)sulfonyl-2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxyphenyl)acetamide
CID 1180349
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
CID 19212618
4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19218749
3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19219305
N-[[3,5-bis[[3-(1,3-dioxoisoindol-2-yl)propyl-(4-methylphenyl)sulfonylamino]methyl]-2,4,6-trimethylphenyl]methyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-methylbenzenesulfonamide
CID 10510561
methyl 6-[3-(1,3-dioxoisoindol-2-yl)propyl-(4-methylphenyl)sulfonylamino]hexanoate
CID 594753
3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-N-methylpropanamide
CID 94626265

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide (CID 19219033) is 3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(N(C(=O)CCN2C(=O)c3ccccc3C2=O)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is AZGVPJXSSDGSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5S/c1-17-7-11-19(12-8-17)27(33(31,32)20-13-9-18(2)10-14-20)23(28)15-16-26-24(29)21-5-3-4-6-22(21)25(26)30/h3-14H,15-16H2,1-2H3.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 462.53 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 19219033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).