2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide

C20H21N5O4S2 — CID 22332608

IUPAC2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCOCC2)cc1
InChIInChI=1S/C20H21N5O4S2/c21-31(27,28)15-7-5-14(6-8-15)22-18(26)13-30-20-19(25-9-11-29-12-10-25)23-16-3-1-2-4-17(16)24-20/h1-8H,9-13H2,(H,22,26)(H2,21,27,28)
InChIKeyPFMFOTYVRTTYHB-UHFFFAOYSA-N
MW459.55 g/mol
LogP1.84
Rot. Bonds6

About 2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide

2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide (PubChem CID 22332608) has the molecular formula C20H21N5O4S2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
PubChem CID22332608
Molecular FormulaC20H21N5O4S2
Molecular Weight459.55 g/mol
Exact Mass459.10
IUPAC Name2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCOCC2)cc1
InChIInChI=1S/C20H21N5O4S2/c21-31(27,28)15-7-5-14(6-8-15)22-18(26)13-30-20-19(25-9-11-29-12-10-25)23-16-3-1-2-4-17(16)24-20/h1-8H,9-13H2,(H,22,26)(H2,21,27,28)
InChIKeyPFMFOTYVRTTYHB-UHFFFAOYSA-N
XLogP1.84
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)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 2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide (CID 22332608) is 2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCOCC2)cc1.
What is the InChIKey of 2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is PFMFOTYVRTTYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S2/c21-31(27,28)15-7-5-14(6-8-15)22-18(26)13-30-20-19(25-9-11-29-12-10-25)23-16-3-1-2-4-17(16)24-20/h1-8H,9-13H2,(H,22,26)(H2,21,27,28).
What are the key properties of 2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 459.55 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 22332608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).