4-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C14H17FN2O3S2 — CID 127266900

IUPAC4-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCc1[nH]c(=O)sc1S(=O)(=O)N(C)C(C)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3S2/c1-4-12-13(21-14(18)16-12)22(19,20)17(3)9(2)10-5-7-11(15)8-6-10/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyFGRLJDWMDHRSTF-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.52
Rot. Bonds5

About 4-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

4-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 127266900) has the molecular formula C14H17FN2O3S2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 4-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID127266900
Molecular FormulaC14H17FN2O3S2
Molecular Weight344.43 g/mol
Exact Mass344.07
IUPAC Name4-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCc1[nH]c(=O)sc1S(=O)(=O)N(C)C(C)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3S2/c1-4-12-13(21-14(18)16-12)22(19,20)17(3)9(2)10-5-7-11(15)8-6-10/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyFGRLJDWMDHRSTF-UHFFFAOYSA-N
XLogP2.52
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 127266900) is 4-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is CCc1[nH]c(=O)sc1S(=O)(=O)N(C)C(C)c1ccc(F)cc1.
What is the InChIKey of 4-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is FGRLJDWMDHRSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3S2/c1-4-12-13(21-14(18)16-12)22(19,20)17(3)9(2)10-5-7-11(15)8-6-10/h5-9H,4H2,1-3H3,(H,16,18).
What are the key properties of 4-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
4-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 344.43 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 127266900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).