N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide

C22H30N4O6S2 — CID 24979096

IUPACN-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C22H30N4O6S2/c1-3-25(4-2)33(28,29)21-10-6-8-19(16-21)24-22(27)17-23-18-7-5-9-20(15-18)34(30,31)26-11-13-32-14-12-26/h5-10,15-16,23H,3-4,11-14,17H2,1-2H3,(H,24,27)
InChIKeyFMLPHPSJXPYLRE-UHFFFAOYSA-N
MW510.64 g/mol
LogP1.79
Rot. Bonds10

About N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide

N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide (PubChem CID 24979096) has the molecular formula C22H30N4O6S2 and a molecular weight of 510.64 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide
PubChem CID24979096
Molecular FormulaC22H30N4O6S2
Molecular Weight510.64 g/mol
Exact Mass510.16
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C22H30N4O6S2/c1-3-25(4-2)33(28,29)21-10-6-8-19(16-21)24-22(27)17-23-18-7-5-9-20(15-18)34(30,31)26-11-13-32-14-12-26/h5-10,15-16,23H,3-4,11-14,17H2,1-2H3,(H,24,27)
InChIKeyFMLPHPSJXPYLRE-UHFFFAOYSA-N
XLogP1.79
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide (CID 24979096) is N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide?
The InChIKey is FMLPHPSJXPYLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O6S2/c1-3-25(4-2)33(28,29)21-10-6-8-19(16-21)24-22(27)17-23-18-7-5-9-20(15-18)34(30,31)26-11-13-32-14-12-26/h5-10,15-16,23H,3-4,11-14,17H2,1-2H3,(H,24,27).
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide?
N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide has a molecular weight of 510.64 g/mol, XLogP of 1.79, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide is sourced from PubChem (CID 24979096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).