N-[2-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-ethylfuran-2-carboxamide

C19H20F2N2O3S — CID 42815375

IUPACN-[2-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-ethylfuran-2-carboxamide
SMILESCCN(CCN1C(=O)C(C)SC1c1ccc(F)cc1F)C(=O)c1ccco1
InChIInChI=1S/C19H20F2N2O3S/c1-3-22(18(25)16-5-4-10-26-16)8-9-23-17(24)12(2)27-19(23)14-7-6-13(20)11-15(14)21/h4-7,10-12,19H,3,8-9H2,1-2H3
InChIKeyTUCJDOACCJCTMM-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.68
Rot. Bonds6

About N-[2-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-ethylfuran-2-carboxamide

N-[2-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-ethylfuran-2-carboxamide (PubChem CID 42815375) has the molecular formula C19H20F2N2O3S and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[2-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-ethylfuran-2-carboxamide
PubChem CID42815375
Molecular FormulaC19H20F2N2O3S
Molecular Weight394.44 g/mol
Exact Mass394.12
IUPAC NameN-[2-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-ethylfuran-2-carboxamide
SMILESCCN(CCN1C(=O)C(C)SC1c1ccc(F)cc1F)C(=O)c1ccco1
InChIInChI=1S/C19H20F2N2O3S/c1-3-22(18(25)16-5-4-10-26-16)8-9-23-17(24)12(2)27-19(23)14-7-6-13(20)11-15(14)21/h4-7,10-12,19H,3,8-9H2,1-2H3
InChIKeyTUCJDOACCJCTMM-UHFFFAOYSA-N
XLogP3.68
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-ethylfuran-2-carboxamide?
The IUPAC name of N-[2-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-ethylfuran-2-carboxamide (CID 42815375) is N-[2-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-ethylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-ethylfuran-2-carboxamide?
The canonical SMILES for N-[2-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-ethylfuran-2-carboxamide is CCN(CCN1C(=O)C(C)SC1c1ccc(F)cc1F)C(=O)c1ccco1.
What is the InChIKey of N-[2-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-ethylfuran-2-carboxamide?
The InChIKey is TUCJDOACCJCTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3S/c1-3-22(18(25)16-5-4-10-26-16)8-9-23-17(24)12(2)27-19(23)14-7-6-13(20)11-15(14)21/h4-7,10-12,19H,3,8-9H2,1-2H3.
What are the key properties of N-[2-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-ethylfuran-2-carboxamide?
N-[2-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-ethylfuran-2-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-ethylfuran-2-carboxamide is sourced from PubChem (CID 42815375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).