N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethyl]propane-1-sulfonamide

C21H25FN2O3S2 — CID 145367011

IUPACN-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)c1ccc(N2C(=O)CSC2c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C21H25FN2O3S2/c1-4-11-29(26,27)23-15(3)17-7-10-19(14(2)12-17)24-20(25)13-28-21(24)16-5-8-18(22)9-6-16/h5-10,12,15,21,23H,4,11,13H2,1-3H3
InChIKeyRNYYKWCBTIOPLI-UHFFFAOYSA-N
MW436.57 g/mol
LogP4.30
Rot. Bonds7

About N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethyl]propane-1-sulfonamide

N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethyl]propane-1-sulfonamide (PubChem CID 145367011) has the molecular formula C21H25FN2O3S2 and a molecular weight of 436.57 g/mol. Its IUPAC name is N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethyl]propane-1-sulfonamide
PubChem CID145367011
Molecular FormulaC21H25FN2O3S2
Molecular Weight436.57 g/mol
Exact Mass436.13
IUPAC NameN-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)c1ccc(N2C(=O)CSC2c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C21H25FN2O3S2/c1-4-11-29(26,27)23-15(3)17-7-10-19(14(2)12-17)24-20(25)13-28-21(24)16-5-8-18(22)9-6-16/h5-10,12,15,21,23H,4,11,13H2,1-3H3
InChIKeyRNYYKWCBTIOPLI-UHFFFAOYSA-N
XLogP4.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.57
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethyl]propane-1-sulfonamide (CID 145367011) is N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NC(C)c1ccc(N2C(=O)CSC2c2ccc(F)cc2)c(C)c1.
What is the InChIKey of N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethyl]propane-1-sulfonamide?
The InChIKey is RNYYKWCBTIOPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3S2/c1-4-11-29(26,27)23-15(3)17-7-10-19(14(2)12-17)24-20(25)13-28-21(24)16-5-8-18(22)9-6-16/h5-10,12,15,21,23H,4,11,13H2,1-3H3.
What are the key properties of N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethyl]propane-1-sulfonamide?
N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethyl]propane-1-sulfonamide has a molecular weight of 436.57 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 145367011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).