2-[4-(3-fluorophenyl)phenyl]-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)propanamide

C19H18FN3O3S2 — CID 91494961

IUPAC2-[4-(3-fluorophenyl)phenyl]-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)propanamide
SMILESCc1nc(NC(=O)C(C)c2ccc(-c3cccc(F)c3)cc2)sc1S(N)(=O)=O
InChIInChI=1S/C19H18FN3O3S2/c1-11(17(24)23-19-22-12(2)18(27-19)28(21,25)26)13-6-8-14(9-7-13)15-4-3-5-16(20)10-15/h3-11H,1-2H3,(H2,21,25,26)(H,22,23,24)
InChIKeyMKJPIQMWBDRZSF-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.65
Rot. Bonds5

About 2-[4-(3-fluorophenyl)phenyl]-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)propanamide

2-[4-(3-fluorophenyl)phenyl]-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)propanamide (PubChem CID 91494961) has the molecular formula C19H18FN3O3S2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-[4-(3-fluorophenyl)phenyl]-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[4-(3-fluorophenyl)phenyl]-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)propanamide
PubChem CID91494961
Molecular FormulaC19H18FN3O3S2
Molecular Weight419.50 g/mol
Exact Mass419.08
IUPAC Name2-[4-(3-fluorophenyl)phenyl]-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)propanamide
SMILESCc1nc(NC(=O)C(C)c2ccc(-c3cccc(F)c3)cc2)sc1S(N)(=O)=O
InChIInChI=1S/C19H18FN3O3S2/c1-11(17(24)23-19-22-12(2)18(27-19)28(21,25)26)13-6-8-14(9-7-13)15-4-3-5-16(20)10-15/h3-11H,1-2H3,(H2,21,25,26)(H,22,23,24)
InChIKeyMKJPIQMWBDRZSF-UHFFFAOYSA-N
XLogP3.65
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenyl)phenyl]-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[4-(3-fluorophenyl)phenyl]-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)propanamide (CID 91494961) is 2-[4-(3-fluorophenyl)phenyl]-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[4-(3-fluorophenyl)phenyl]-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[4-(3-fluorophenyl)phenyl]-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)propanamide is Cc1nc(NC(=O)C(C)c2ccc(-c3cccc(F)c3)cc2)sc1S(N)(=O)=O.
What is the InChIKey of 2-[4-(3-fluorophenyl)phenyl]-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is MKJPIQMWBDRZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S2/c1-11(17(24)23-19-22-12(2)18(27-19)28(21,25)26)13-6-8-14(9-7-13)15-4-3-5-16(20)10-15/h3-11H,1-2H3,(H2,21,25,26)(H,22,23,24).
What are the key properties of 2-[4-(3-fluorophenyl)phenyl]-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)propanamide?
2-[4-(3-fluorophenyl)phenyl]-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 419.50 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenyl)phenyl]-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 91494961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).