ethyl 2-[5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-4-oxo-3-[2-oxo-2-(pentan-2-ylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate

C23H28F2N2O6S — CID 3474127

IUPACethyl 2-[5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-4-oxo-3-[2-oxo-2-(pentan-2-ylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
SMILESCCCC(C)NC(=O)Cn1c(=CC(=O)OCC)sc(=Cc2ccc(OC(F)F)c(OC)c2)c1=O
InChIInChI=1S/C23H28F2N2O6S/c1-5-7-14(3)26-19(28)13-27-20(12-21(29)32-6-2)34-18(22(27)30)11-15-8-9-16(33-23(24)25)17(10-15)31-4/h8-12,14,23H,5-7,13H2,1-4H3,(H,26,28)
InChIKeyKGEAHOUHVSNXRE-UHFFFAOYSA-N
MW498.55 g/mol
LogP2.00
Rot. Bonds11

About ethyl 2-[5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-4-oxo-3-[2-oxo-2-(pentan-2-ylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate

ethyl 2-[5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-4-oxo-3-[2-oxo-2-(pentan-2-ylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 3474127) has the molecular formula C23H28F2N2O6S and a molecular weight of 498.55 g/mol. Its IUPAC name is ethyl 2-[5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-4-oxo-3-[2-oxo-2-(pentan-2-ylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-4-oxo-3-[2-oxo-2-(pentan-2-ylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
PubChem CID3474127
Molecular FormulaC23H28F2N2O6S
Molecular Weight498.55 g/mol
Exact Mass498.16
IUPAC Nameethyl 2-[5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-4-oxo-3-[2-oxo-2-(pentan-2-ylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
SMILESCCCC(C)NC(=O)Cn1c(=CC(=O)OCC)sc(=Cc2ccc(OC(F)F)c(OC)c2)c1=O
InChIInChI=1S/C23H28F2N2O6S/c1-5-7-14(3)26-19(28)13-27-20(12-21(29)32-6-2)34-18(22(27)30)11-15-8-9-16(33-23(24)25)17(10-15)31-4/h8-12,14,23H,5-7,13H2,1-4H3,(H,26,28)
InChIKeyKGEAHOUHVSNXRE-UHFFFAOYSA-N
XLogP2.00
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.55
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-4-oxo-3-[2-oxo-2-(pentan-2-ylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-4-oxo-3-[2-oxo-2-(pentan-2-ylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of ethyl 2-[5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-4-oxo-3-[2-oxo-2-(pentan-2-ylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate (CID 3474127) is ethyl 2-[5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-4-oxo-3-[2-oxo-2-(pentan-2-ylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl 2-[5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-4-oxo-3-[2-oxo-2-(pentan-2-ylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl 2-[5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-4-oxo-3-[2-oxo-2-(pentan-2-ylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate is CCCC(C)NC(=O)Cn1c(=CC(=O)OCC)sc(=Cc2ccc(OC(F)F)c(OC)c2)c1=O.
What is the InChIKey of ethyl 2-[5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-4-oxo-3-[2-oxo-2-(pentan-2-ylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is KGEAHOUHVSNXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O6S/c1-5-7-14(3)26-19(28)13-27-20(12-21(29)32-6-2)34-18(22(27)30)11-15-8-9-16(33-23(24)25)17(10-15)31-4/h8-12,14,23H,5-7,13H2,1-4H3,(H,26,28).
What are the key properties of ethyl 2-[5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-4-oxo-3-[2-oxo-2-(pentan-2-ylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate?
ethyl 2-[5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-4-oxo-3-[2-oxo-2-(pentan-2-ylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 498.55 g/mol, XLogP of 2.00, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-4-oxo-3-[2-oxo-2-(pentan-2-ylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 3474127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).