2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C19H19FN4O3S2 — CID 27377867

IUPAC2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cc2csc(Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H19FN4O3S2/c20-14-3-5-15(6-4-14)23-19-24-16(12-28-19)11-18(25)22-10-9-13-1-7-17(8-2-13)29(21,26)27/h1-8,12H,9-11H2,(H,22,25)(H,23,24)(H2,21,26,27)
InChIKeyAJAUHVPXAVEZDH-UHFFFAOYSA-N
MW434.52 g/mol
LogP2.57
Rot. Bonds8

About 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 27377867) has the molecular formula C19H19FN4O3S2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID27377867
Molecular FormulaC19H19FN4O3S2
Molecular Weight434.52 g/mol
Exact Mass434.09
IUPAC Name2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cc2csc(Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H19FN4O3S2/c20-14-3-5-15(6-4-14)23-19-24-16(12-28-19)11-18(25)22-10-9-13-1-7-17(8-2-13)29(21,26)27/h1-8,12H,9-11H2,(H,22,25)(H,23,24)(H2,21,26,27)
InChIKeyAJAUHVPXAVEZDH-UHFFFAOYSA-N
XLogP2.57
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 27377867) is 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)Cc2csc(Nc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is AJAUHVPXAVEZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S2/c20-14-3-5-15(6-4-14)23-19-24-16(12-28-19)11-18(25)22-10-9-13-1-7-17(8-2-13)29(21,26)27/h1-8,12H,9-11H2,(H,22,25)(H,23,24)(H2,21,26,27).
What are the key properties of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 434.52 g/mol, XLogP of 2.57, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 27377867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).