2-(4-ethoxyanilino)-N-(4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide

C18H18N4O4S2 — CID 16954984

IUPAC2-(4-ethoxyanilino)-N-(4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cs2)cc1
InChIInChI=1S/C18H18N4O4S2/c1-2-26-14-7-3-13(4-8-14)21-18-22-16(11-27-18)17(23)20-12-5-9-15(10-6-12)28(19,24)25/h3-11H,2H2,1H3,(H,20,23)(H,21,22)(H2,19,24,25)
InChIKeyCIBGCRUOWQPDJM-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.19
Rot. Bonds7

About 2-(4-ethoxyanilino)-N-(4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide

2-(4-ethoxyanilino)-N-(4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 16954984) has the molecular formula C18H18N4O4S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-(4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-(4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID16954984
Molecular FormulaC18H18N4O4S2
Molecular Weight418.50 g/mol
Exact Mass418.08
IUPAC Name2-(4-ethoxyanilino)-N-(4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cs2)cc1
InChIInChI=1S/C18H18N4O4S2/c1-2-26-14-7-3-13(4-8-14)21-18-22-16(11-27-18)17(23)20-12-5-9-15(10-6-12)28(19,24)25/h3-11H,2H2,1H3,(H,20,23)(H,21,22)(H2,19,24,25)
InChIKeyCIBGCRUOWQPDJM-UHFFFAOYSA-N
XLogP3.19
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-(4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-(4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide (CID 16954984) is 2-(4-ethoxyanilino)-N-(4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-(4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-(4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide is CCOc1ccc(Nc2nc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-(4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is CIBGCRUOWQPDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S2/c1-2-26-14-7-3-13(4-8-14)21-18-22-16(11-27-18)17(23)20-12-5-9-15(10-6-12)28(19,24)25/h3-11H,2H2,1H3,(H,20,23)(H,21,22)(H2,19,24,25).
What are the key properties of 2-(4-ethoxyanilino)-N-(4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide?
2-(4-ethoxyanilino)-N-(4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-(4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16954984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).