3-(dimethylsulfamoyl)-N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide

C21H27N3O7S — CID 24548643

IUPAC3-(dimethylsulfamoyl)-N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C21H27N3O7S/c1-24(2)32(27,28)16-8-6-7-14(9-16)21(26)23-13-20(25)22-12-15-10-18(30-4)19(31-5)11-17(15)29-3/h6-11H,12-13H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyQUPOABKXZSRPTG-UHFFFAOYSA-N
MW465.53 g/mol
LogP1.01
Rot. Bonds10

About 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide

3-(dimethylsulfamoyl)-N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide (PubChem CID 24548643) has the molecular formula C21H27N3O7S and a molecular weight of 465.53 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide
PubChem CID24548643
Molecular FormulaC21H27N3O7S
Molecular Weight465.53 g/mol
Exact Mass465.16
IUPAC Name3-(dimethylsulfamoyl)-N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C21H27N3O7S/c1-24(2)32(27,28)16-8-6-7-14(9-16)21(26)23-13-20(25)22-12-15-10-18(30-4)19(31-5)11-17(15)29-3/h6-11H,12-13H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyQUPOABKXZSRPTG-UHFFFAOYSA-N
XLogP1.01
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]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

3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 18114783
3-(dimethylsulfamoyl)-N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 30873014
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 110408855
N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 17438069
N-[(2-methoxyphenyl)methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26734370
3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide
CID 8624154
N-[(2-methoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2713335
3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide
CID 8623572
3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]benzamide
CID 55483864
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide (CID 24548643) is 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide is COc1cc(OC)c(OC)cc1CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide?
The InChIKey is QUPOABKXZSRPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O7S/c1-24(2)32(27,28)16-8-6-7-14(9-16)21(26)23-13-20(25)22-12-15-10-18(30-4)19(31-5)11-17(15)29-3/h6-11H,12-13H2,1-5H3,(H,22,25)(H,23,26).
What are the key properties of 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide?
3-(dimethylsulfamoyl)-N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide has a molecular weight of 465.53 g/mol, XLogP of 1.01, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide is sourced from PubChem (CID 24548643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).