N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide

C20H21FN2O3S — CID 42816187

IUPACN-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
SMILESCOc1ccc(C2SCC(=O)N2C(C)C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H21FN2O3S/c1-13(19(25)22-11-14-3-7-16(21)8-4-14)23-18(24)12-27-20(23)15-5-9-17(26-2)10-6-15/h3-10,13,20H,11-12H2,1-2H3,(H,22,25)
InChIKeyBPQYLFWSVGRHQW-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.11
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide

N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide (PubChem CID 42816187) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
PubChem CID42816187
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
SMILESCOc1ccc(C2SCC(=O)N2C(C)C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H21FN2O3S/c1-13(19(25)22-11-14-3-7-16(21)8-4-14)23-18(24)12-27-20(23)15-5-9-17(26-2)10-6-15/h3-10,13,20H,11-12H2,1-2H3,(H,22,25)
InChIKeyBPQYLFWSVGRHQW-UHFFFAOYSA-N
XLogP3.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-N-(2-methylpropyl)pentanamide
CID 42816311
2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 4788849
N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide
CID 42814953
2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 42814961
N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide
CID 43089556
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 1278524
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 133212989
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
(2R)-2-(azocan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2539196
2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 42997740
methyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
CID 3402208
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide
CID 99130903

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide (CID 42816187) is N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide is COc1ccc(C2SCC(=O)N2C(C)C(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide?
The InChIKey is BPQYLFWSVGRHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c1-13(19(25)22-11-14-3-7-16(21)8-4-14)23-18(24)12-27-20(23)15-5-9-17(26-2)10-6-15/h3-10,13,20H,11-12H2,1-2H3,(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide?
N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide has a molecular weight of 388.46 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide is sourced from PubChem (CID 42816187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).