N-[1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide

C22H19FN4O4S2 — CID 87486427

IUPACN-[1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESCc1cc(CC(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccc(F)cc2)on1
InChIInChI=1S/C22H19FN4O4S2/c1-14-12-18(31-26-14)13-20(15-2-6-17(23)7-3-15)25-21(28)16-4-8-19(9-5-16)33(29,30)27-22-24-10-11-32-22/h2-12,20H,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyRBZKUGYSHHDHJV-UHFFFAOYSA-N
MW486.55 g/mol
LogP4.09
Rot. Bonds8

About N-[1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide

N-[1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide (PubChem CID 87486427) has the molecular formula C22H19FN4O4S2 and a molecular weight of 486.55 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
PubChem CID87486427
Molecular FormulaC22H19FN4O4S2
Molecular Weight486.55 g/mol
Exact Mass486.08
IUPAC NameN-[1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESCc1cc(CC(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccc(F)cc2)on1
InChIInChI=1S/C22H19FN4O4S2/c1-14-12-18(31-26-14)13-20(15-2-6-17(23)7-3-15)25-21(28)16-4-8-19(9-5-16)33(29,30)27-22-24-10-11-32-22/h2-12,20H,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyRBZKUGYSHHDHJV-UHFFFAOYSA-N
XLogP4.09
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486453
N-[1-(2-chlorophenyl)-2-hydroxyethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486445
N-(5,6-dimethyl-3-pyridinyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488160
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486353
2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 146122970
N-[2-(3,4-difluorophenyl)propan-2-yl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487390
N-[1-(2-chlorophenyl)ethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487830
3-(4-fluorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19514441
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 47080388
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 42580746
3,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 2225489
4-[1-(ethylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43506679

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide (CID 87486427) is N-[1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide is Cc1cc(CC(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccc(F)cc2)on1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The InChIKey is RBZKUGYSHHDHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O4S2/c1-14-12-18(31-26-14)13-20(15-2-6-17(23)7-3-15)25-21(28)16-4-8-19(9-5-16)33(29,30)27-22-24-10-11-32-22/h2-12,20H,13H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
N-[1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide has a molecular weight of 486.55 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 87486427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).