3-(benzenesulfonylmethyl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C22H15F3N2O4S2 — CID 30806120

IUPAC3-(benzenesulfonylmethyl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H15F3N2O4S2/c23-22(24,25)16-6-4-5-14(11-16)18-12-32-21(26-18)27-20(28)19-15(9-10-31-19)13-33(29,30)17-7-2-1-3-8-17/h1-12H,13H2,(H,26,27,28)
InChIKeyWRXBTXALPMLXAZ-UHFFFAOYSA-N
MW492.50 g/mol
LogP5.65
Rot. Bonds6

About 3-(benzenesulfonylmethyl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide

3-(benzenesulfonylmethyl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 30806120) has the molecular formula C22H15F3N2O4S2 and a molecular weight of 492.50 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID30806120
Molecular FormulaC22H15F3N2O4S2
Molecular Weight492.50 g/mol
Exact Mass492.04
IUPAC Name3-(benzenesulfonylmethyl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H15F3N2O4S2/c23-22(24,25)16-6-4-5-14(11-16)18-12-32-21(26-18)27-20(28)19-15(9-10-31-19)13-33(29,30)17-7-2-1-3-8-17/h1-12H,13H2,(H,26,27,28)
InChIKeyWRXBTXALPMLXAZ-UHFFFAOYSA-N
XLogP5.65
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.50
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 37018546
N-(4-phenyl-1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 2344834
N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 47061239
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 2557251
2-(cyclopropylmethylamino)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 119708085
4-methoxy-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide
CID 47045100
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3247994
3-bromo-5-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 146094788
3-bromo-4-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 146094787
2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 55829629
3-amino-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119708092
2-(benzenesulfonylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 167827153

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 30806120) is 3-(benzenesulfonylmethyl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1occc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is WRXBTXALPMLXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O4S2/c23-22(24,25)16-6-4-5-14(11-16)18-12-32-21(26-18)27-20(28)19-15(9-10-31-19)13-33(29,30)17-7-2-1-3-8-17/h1-12H,13H2,(H,26,27,28).
What are the key properties of 3-(benzenesulfonylmethyl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
3-(benzenesulfonylmethyl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 492.50 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 30806120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).