2-morpholin-4-ylethyl 2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-4-carboxylate

C17H20N4O6S2 — CID 166703225

IUPAC2-morpholin-4-ylethyl 2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-4-carboxylate
SMILESNS(=O)(=O)c1ccc(C(=O)Nc2nc(C(=O)OCCN3CCOCC3)cs2)cc1
InChIInChI=1S/C17H20N4O6S2/c18-29(24,25)13-3-1-12(2-4-13)15(22)20-17-19-14(11-28-17)16(23)27-10-7-21-5-8-26-9-6-21/h1-4,11H,5-10H2,(H2,18,24,25)(H,19,20,22)
InChIKeyJFYNAAHQFHMAQA-UHFFFAOYSA-N
MW440.50 g/mol
LogP0.53
Rot. Bonds7

About 2-morpholin-4-ylethyl 2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-4-carboxylate

2-morpholin-4-ylethyl 2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 166703225) has the molecular formula C17H20N4O6S2 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID166703225
Molecular FormulaC17H20N4O6S2
Molecular Weight440.50 g/mol
Exact Mass440.08
IUPAC Name2-morpholin-4-ylethyl 2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-4-carboxylate
SMILESNS(=O)(=O)c1ccc(C(=O)Nc2nc(C(=O)OCCN3CCOCC3)cs2)cc1
InChIInChI=1S/C17H20N4O6S2/c18-29(24,25)13-3-1-12(2-4-13)15(22)20-17-19-14(11-28-17)16(23)27-10-7-21-5-8-26-9-6-21/h1-4,11H,5-10H2,(H2,18,24,25)(H,19,20,22)
InChIKeyJFYNAAHQFHMAQA-UHFFFAOYSA-N
XLogP0.53
TPSA140.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-4-carboxylate (CID 166703225) is 2-morpholin-4-ylethyl 2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-4-carboxylate is NS(=O)(=O)c1ccc(C(=O)Nc2nc(C(=O)OCCN3CCOCC3)cs2)cc1.
What is the InChIKey of 2-morpholin-4-ylethyl 2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is JFYNAAHQFHMAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O6S2/c18-29(24,25)13-3-1-12(2-4-13)15(22)20-17-19-14(11-28-17)16(23)27-10-7-21-5-8-26-9-6-21/h1-4,11H,5-10H2,(H2,18,24,25)(H,19,20,22).
What are the key properties of 2-morpholin-4-ylethyl 2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-4-carboxylate?
2-morpholin-4-ylethyl 2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 440.50 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 166703225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).