N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide

C19H19FN2O2S2 — CID 110317221

IUPACN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H19FN2O2S2/c1-14-4-2-3-5-16(14)13-26(23,24)21-11-10-18-12-25-19(22-18)15-6-8-17(20)9-7-15/h2-9,12,21H,10-11,13H2,1H3
InChIKeyYXTPEPWATZJWPG-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.92
Rot. Bonds7

About N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide

N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110317221) has the molecular formula C19H19FN2O2S2 and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID110317221
Molecular FormulaC19H19FN2O2S2
Molecular Weight390.51 g/mol
Exact Mass390.09
IUPAC NameN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H19FN2O2S2/c1-14-4-2-3-5-16(14)13-26(23,24)21-11-10-18-12-25-19(22-18)15-6-8-17(20)9-7-15/h2-9,12,21H,10-11,13H2,1H3
InChIKeyYXTPEPWATZJWPG-UHFFFAOYSA-N
XLogP3.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide
CID 7518657
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide
CID 110317219
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]propane-2-sulfonamide
CID 7518666
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110641168
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide
CID 51106179
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 17468980
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-methoxyethanesulfonamide
CID 7530807
1-(2-aminophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 106034147
N-[(4-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 38005786
2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 110305114
4-fluoro-2-methyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110285025
N-(ethylsulfamoyl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 110624843

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide (CID 110317221) is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)NCCc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is YXTPEPWATZJWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S2/c1-14-4-2-3-5-16(14)13-26(23,24)21-11-10-18-12-25-19(22-18)15-6-8-17(20)9-7-15/h2-9,12,21H,10-11,13H2,1H3.
What are the key properties of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide?
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110317221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).