N-[2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N,3-dimethylbutanamide

C18H25FN2O2S — CID 42814732

IUPACN-[2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)CCN1C(=O)C(C)SC1c1ccccc1F
InChIInChI=1S/C18H25FN2O2S/c1-12(2)11-16(22)20(4)9-10-21-17(23)13(3)24-18(21)14-7-5-6-8-15(14)19/h5-8,12-13,18H,9-11H2,1-4H3
InChIKeySPWRDPOWYVILPO-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.29
Rot. Bonds6

About N-[2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N,3-dimethylbutanamide

N-[2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N,3-dimethylbutanamide (PubChem CID 42814732) has the molecular formula C18H25FN2O2S and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N,3-dimethylbutanamide
PubChem CID42814732
Molecular FormulaC18H25FN2O2S
Molecular Weight352.48 g/mol
Exact Mass352.16
IUPAC NameN-[2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)CCN1C(=O)C(C)SC1c1ccccc1F
InChIInChI=1S/C18H25FN2O2S/c1-12(2)11-16(22)20(4)9-10-21-17(23)13(3)24-18(21)14-7-5-6-8-15(14)19/h5-8,12-13,18H,9-11H2,1-4H3
InChIKeySPWRDPOWYVILPO-UHFFFAOYSA-N
XLogP3.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N,3-dimethylbutanamide?
The IUPAC name of N-[2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N,3-dimethylbutanamide (CID 42814732) is N-[2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N,3-dimethylbutanamide?
The canonical SMILES for N-[2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N,3-dimethylbutanamide is CC(C)CC(=O)N(C)CCN1C(=O)C(C)SC1c1ccccc1F.
What is the InChIKey of N-[2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N,3-dimethylbutanamide?
The InChIKey is SPWRDPOWYVILPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2S/c1-12(2)11-16(22)20(4)9-10-21-17(23)13(3)24-18(21)14-7-5-6-8-15(14)19/h5-8,12-13,18H,9-11H2,1-4H3.
What are the key properties of N-[2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N,3-dimethylbutanamide?
N-[2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N,3-dimethylbutanamide has a molecular weight of 352.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 42814732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).