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

C29H31N3O6S — CID 3383532

IUPAC4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C29H31N3O6S/c1-4-30(5-2)39(36,37)24-17-11-21(12-18-24)27(33)31(22-13-15-23(16-14-22)38-6-3)19-20-32-28(34)25-9-7-8-10-26(25)29(32)35/h7-18H,4-6,19-20H2,1-3H3
InChIKeyKKABPTCAZMWZRN-UHFFFAOYSA-N
MW549.65 g/mol
LogP4.06
Rot. Bonds11

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

4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(4-ethoxyphenyl)benzamide (PubChem CID 3383532) has the molecular formula C29H31N3O6S and a molecular weight of 549.65 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(4-ethoxyphenyl)benzamide
PubChem CID3383532
Molecular FormulaC29H31N3O6S
Molecular Weight549.65 g/mol
Exact Mass549.19
IUPAC Name4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C29H31N3O6S/c1-4-30(5-2)39(36,37)24-17-11-21(12-18-24)27(33)31(22-13-15-23(16-14-22)38-6-3)19-20-32-28(34)25-9-7-8-10-26(25)29(32)35/h7-18H,4-6,19-20H2,1-3H3
InChIKeyKKABPTCAZMWZRN-UHFFFAOYSA-N
XLogP4.06
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.65
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(4-ethoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-methylphenyl)benzamide
CID 3914689
N-(4-tert-butylphenyl)-4-(diethylsulfamoyl)-N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]benzamide
CID 3938824
4-tert-butyl-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(4-methylphenyl)benzamide
CID 3981151
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide
CID 4013315
N-(4-chlorophenyl)sulfonyl-2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxyphenyl)acetamide
CID 1180349
4-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-phenylbenzamide
CID 4528912
4-ethoxy-N-ethyl-N-phenylbenzamide
CID 721190
2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide
CID 2326703
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(2-ethoxyphenyl)-3,5-dinitrobenzamide
CID 3377075
N-(2-cyanoethyl)-5-(diethylsulfamoyl)-N-(4-ethoxyphenyl)-2-methylbenzamide
CID 55378041
N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide
CID 19211132
N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-ethoxybenzohydrazide
CID 8915094

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(4-ethoxyphenyl)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(4-ethoxyphenyl)benzamide (CID 3383532) is 4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(4-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(4-ethoxyphenyl)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(4-ethoxyphenyl)benzamide is CCOc1ccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(4-ethoxyphenyl)benzamide?
The InChIKey is KKABPTCAZMWZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O6S/c1-4-30(5-2)39(36,37)24-17-11-21(12-18-24)27(33)31(22-13-15-23(16-14-22)38-6-3)19-20-32-28(34)25-9-7-8-10-26(25)29(32)35/h7-18H,4-6,19-20H2,1-3H3.
What are the key properties of 4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(4-ethoxyphenyl)benzamide?
4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(4-ethoxyphenyl)benzamide has a molecular weight of 549.65 g/mol, XLogP of 4.06, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(4-ethoxyphenyl)benzamide is sourced from PubChem (CID 3383532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).