N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide

C22H29N3O8S2 — CID 5018671

IUPACN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C22H29N3O8S2/c1-3-24(4-2)35(30,31)19-9-10-21(26)20(15-19)23-22(27)16-33-17-5-7-18(8-6-17)34(28,29)25-11-13-32-14-12-25/h5-10,15,26H,3-4,11-14,16H2,1-2H3,(H,23,27)
InChIKeyASIZCQZRWUHATB-UHFFFAOYSA-N
MW527.62 g/mol
LogP1.46
Rot. Bonds10

About N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide

N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide (PubChem CID 5018671) has the molecular formula C22H29N3O8S2 and a molecular weight of 527.62 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
PubChem CID5018671
Molecular FormulaC22H29N3O8S2
Molecular Weight527.62 g/mol
Exact Mass527.14
IUPAC NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C22H29N3O8S2/c1-3-24(4-2)35(30,31)19-9-10-21(26)20(15-19)23-22(27)16-33-17-5-7-18(8-6-17)34(28,29)25-11-13-32-14-12-25/h5-10,15,26H,3-4,11-14,16H2,1-2H3,(H,23,27)
InChIKeyASIZCQZRWUHATB-UHFFFAOYSA-N
XLogP1.46
TPSA142.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.62
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide 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

CID 3809457
CID 3809457
CID 4916033
CID 4916033
CID 4916035
CID 4916035
CID 5295635
CID 5295635
CID 4172058
CID 4172058
CID 4916037
CID 4916037
CID 615071
CID 615071
CID 134817798
CID 134817798
CID 3354639
CID 3354639
CID 3647605
CID 3647605
CID 3875813
CID 3875813
CID 4379333
CID 4379333

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide (CID 5018671) is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide is CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The InChIKey is ASIZCQZRWUHATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O8S2/c1-3-24(4-2)35(30,31)19-9-10-21(26)20(15-19)23-22(27)16-33-17-5-7-18(8-6-17)34(28,29)25-11-13-32-14-12-25/h5-10,15,26H,3-4,11-14,16H2,1-2H3,(H,23,27).
What are the key properties of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide has a molecular weight of 527.62 g/mol, XLogP of 1.46, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 5018671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).