5-[(4-acetylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide

C23H19N3O6S2 — CID 19455196

IUPAC5-[(4-acetylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCC(=O)c1ccc(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)o2)cc1
InChIInChI=1S/C23H19N3O6S2/c1-15(27)16-2-6-18(7-3-16)31-14-19-8-11-21(32-19)22(28)25-17-4-9-20(10-5-17)34(29,30)26-23-24-12-13-33-23/h2-13H,14H2,1H3,(H,24,26)(H,25,28)
InChIKeyIBYDTMQGUXRFNT-UHFFFAOYSA-N
MW497.55 g/mol
LogP4.57
Rot. Bonds9

About 5-[(4-acetylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide

5-[(4-acetylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide (PubChem CID 19455196) has the molecular formula C23H19N3O6S2 and a molecular weight of 497.55 g/mol. Its IUPAC name is 5-[(4-acetylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-acetylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide
PubChem CID19455196
Molecular FormulaC23H19N3O6S2
Molecular Weight497.55 g/mol
Exact Mass497.07
IUPAC Name5-[(4-acetylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCC(=O)c1ccc(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)o2)cc1
InChIInChI=1S/C23H19N3O6S2/c1-15(27)16-2-6-18(7-3-16)31-14-19-8-11-21(32-19)22(28)25-17-4-9-20(10-5-17)34(29,30)26-23-24-12-13-33-23/h2-13H,14H2,1H3,(H,24,26)(H,25,28)
InChIKeyIBYDTMQGUXRFNT-UHFFFAOYSA-N
XLogP4.57
TPSA127.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19416952
5-[(2-methoxyphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19467487
5-[(2-nitrophenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19446306
N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
CID 19455187
methyl 4-[[5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19448991
5-[(4-acetylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19455200
5-[(4-chlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19413705
5-[(4-bromophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19413497
4-(3-methylbutoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 4948208
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19446559
5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 36706973
4-[[(2S)-oxolan-2-yl]methoxy]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2161674

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide (CID 19455196) is 5-[(4-acetylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-acetylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-acetylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide is CC(=O)c1ccc(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)o2)cc1.
What is the InChIKey of 5-[(4-acetylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The InChIKey is IBYDTMQGUXRFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O6S2/c1-15(27)16-2-6-18(7-3-16)31-14-19-8-11-21(32-19)22(28)25-17-4-9-20(10-5-17)34(29,30)26-23-24-12-13-33-23/h2-13H,14H2,1H3,(H,24,26)(H,25,28).
What are the key properties of 5-[(4-acetylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
5-[(4-acetylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide has a molecular weight of 497.55 g/mol, XLogP of 4.57, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 19455196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).