4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methylphenyl)benzamide

C28H29N3O5S — CID 3914689

IUPAC4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2cccc(C)c2)cc1
InChIInChI=1S/C28H29N3O5S/c1-4-29(5-2)37(35,36)23-15-13-21(14-16-23)26(32)30(22-10-8-9-20(3)19-22)17-18-31-27(33)24-11-6-7-12-25(24)28(31)34/h6-16,19H,4-5,17-18H2,1-3H3
InChIKeyRMMQFWMCRPPTAU-UHFFFAOYSA-N
MW519.62 g/mol
LogP3.97
Rot. Bonds9

About 4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methylphenyl)benzamide

4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methylphenyl)benzamide (PubChem CID 3914689) has the molecular formula C28H29N3O5S and a molecular weight of 519.62 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methylphenyl)benzamide
PubChem CID3914689
Molecular FormulaC28H29N3O5S
Molecular Weight519.62 g/mol
Exact Mass519.18
IUPAC Name4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2cccc(C)c2)cc1
InChIInChI=1S/C28H29N3O5S/c1-4-29(5-2)37(35,36)23-15-13-21(14-16-23)26(32)30(22-10-8-9-20(3)19-22)17-18-31-27(33)24-11-6-7-12-25(24)28(31)34/h6-16,19H,4-5,17-18H2,1-3H3
InChIKeyRMMQFWMCRPPTAU-UHFFFAOYSA-N
XLogP3.97
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.62
LogP ≤ 53.97
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

4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(4-ethoxyphenyl)benzamide
CID 3383532
N-(4-tert-butylphenyl)-4-(diethylsulfamoyl)-N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]benzamide
CID 3938824
4-chloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)benzamide
CID 4223086
3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-ethyl-1-(3-methylphenyl)urea
CID 108889606
4-tert-butyl-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(4-methylphenyl)benzamide
CID 3981151
4-methyl-N-(3-methylphenyl)-N-propylbenzamide
CID 17319549
4-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-phenylbenzamide
CID 4528912
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-[2-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 11813935
3-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methoxyphenyl)benzamide
CID 2342210
N-(2-hydroxyethyl)-N-(3-methylphenyl)benzamide
CID 91297666
N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-4-methyl-N-(2-methylphenyl)benzamide
CID 4036482
N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
CID 107023760

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methylphenyl)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methylphenyl)benzamide (CID 3914689) is 4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methylphenyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2cccc(C)c2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methylphenyl)benzamide?
The InChIKey is RMMQFWMCRPPTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5S/c1-4-29(5-2)37(35,36)23-15-13-21(14-16-23)26(32)30(22-10-8-9-20(3)19-22)17-18-31-27(33)24-11-6-7-12-25(24)28(31)34/h6-16,19H,4-5,17-18H2,1-3H3.
What are the key properties of 4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methylphenyl)benzamide?
4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methylphenyl)benzamide has a molecular weight of 519.62 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 3914689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).