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

C18H17FN4O3S2 — CID 27377870

IUPAC2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)Cc2csc(Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H17FN4O3S2/c19-13-3-5-14(6-4-13)22-18-23-15(11-27-18)9-17(24)21-10-12-1-7-16(8-2-12)28(20,25)26/h1-8,11H,9-10H2,(H,21,24)(H,22,23)(H2,20,25,26)
InChIKeyDUGBYHWYIOECCG-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.53
Rot. Bonds7

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

2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 27377870) has the molecular formula C18H17FN4O3S2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID27377870
Molecular FormulaC18H17FN4O3S2
Molecular Weight420.49 g/mol
Exact Mass420.07
IUPAC Name2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)Cc2csc(Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H17FN4O3S2/c19-13-3-5-14(6-4-13)22-18-23-15(11-27-18)9-17(24)21-10-12-1-7-16(8-2-12)28(20,25)26/h1-8,11H,9-10H2,(H,21,24)(H,22,23)(H2,20,25,26)
InChIKeyDUGBYHWYIOECCG-UHFFFAOYSA-N
XLogP2.53
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.53
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-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 27377870) is 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)Cc2csc(Nc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is DUGBYHWYIOECCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S2/c19-13-3-5-14(6-4-13)22-18-23-15(11-27-18)9-17(24)21-10-12-1-7-16(8-2-12)28(20,25)26/h1-8,11H,9-10H2,(H,21,24)(H,22,23)(H2,20,25,26).
What are the key properties of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 420.49 g/mol, XLogP of 2.53, 7 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-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 27377870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).