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

C25H22N2O6S — CID 19219066

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylpropanamide
SMILESCOc1ccc(N(C(=O)C(C)N2C(=O)c3ccccc3C2=O)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H22N2O6S/c1-16-8-14-20(15-9-16)34(31,32)27(18-10-12-19(33-3)13-11-18)23(28)17(2)26-24(29)21-6-4-5-7-22(21)25(26)30/h4-15,17H,1-3H3
InChIKeyADHGAKHKBNVOIB-UHFFFAOYSA-N
MW478.53 g/mol
LogP3.41
Rot. Bonds6

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

2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylpropanamide (PubChem CID 19219066) has the molecular formula C25H22N2O6S and a molecular weight of 478.53 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylpropanamide
PubChem CID19219066
Molecular FormulaC25H22N2O6S
Molecular Weight478.53 g/mol
Exact Mass478.12
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylpropanamide
SMILESCOc1ccc(N(C(=O)C(C)N2C(=O)c3ccccc3C2=O)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H22N2O6S/c1-16-8-14-20(15-9-16)34(31,32)27(18-10-12-19(33-3)13-11-18)23(28)17(2)26-24(29)21-6-4-5-7-22(21)25(26)30/h4-15,17H,1-3H3
InChIKeyADHGAKHKBNVOIB-UHFFFAOYSA-N
XLogP3.41
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propanoic acid
CID 50891410
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propanoyl chloride
CID 50891411
N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 42841654
N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-2-methylpropanamide
CID 1242568
N-(4-methoxyphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide
CID 19219311
3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide
CID 19219033
N-[(E)-1,2-dichloroethenyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 102167641
(E)-N-(4-methoxyphenyl)-3-(4-methylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 19212337
N-(4-chlorophenyl)sulfonyl-6-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)hexanamide
CID 19219104
2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 1322535
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 3803407
4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 93207194

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylpropanamide (CID 19219066) is 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylpropanamide is COc1ccc(N(C(=O)C(C)N2C(=O)c3ccccc3C2=O)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is ADHGAKHKBNVOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O6S/c1-16-8-14-20(15-9-16)34(31,32)27(18-10-12-19(33-3)13-11-18)23(28)17(2)26-24(29)21-6-4-5-7-22(21)25(26)30/h4-15,17H,1-3H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylpropanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 478.53 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 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-methoxyphenyl)-N-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 19219066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).