N-(2,4-difluorophenyl)-2-[3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide

C22H22F2N4O4S — CID 4833028

IUPACN-(2,4-difluorophenyl)-2-[3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCOc1ccc(C=NN2C(=O)C(CC(=O)Nc3ccc(F)cc3F)S/C2=N\C)cc1OC
InChIInChI=1S/C22H22F2N4O4S/c1-4-32-17-8-5-13(9-18(17)31-3)12-26-28-21(30)19(33-22(28)25-2)11-20(29)27-16-7-6-14(23)10-15(16)24/h5-10,12,19H,4,11H2,1-3H3,(H,27,29)/b25-22-,26-12?
InChIKeyFIDZFIQCFCAXTM-WUIFGJMWSA-N
MW476.51 g/mol
LogP3.66
Rot. Bonds8

About N-(2,4-difluorophenyl)-2-[3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(2,4-difluorophenyl)-2-[3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 4833028) has the molecular formula C22H22F2N4O4S and a molecular weight of 476.51 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID4833028
Molecular FormulaC22H22F2N4O4S
Molecular Weight476.51 g/mol
Exact Mass476.13
IUPAC NameN-(2,4-difluorophenyl)-2-[3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCOc1ccc(C=NN2C(=O)C(CC(=O)Nc3ccc(F)cc3F)S/C2=N\C)cc1OC
InChIInChI=1S/C22H22F2N4O4S/c1-4-32-17-8-5-13(9-18(17)31-3)12-26-28-21(30)19(33-22(28)25-2)11-20(29)27-16-7-6-14(23)10-15(16)24/h5-10,12,19H,4,11H2,1-3H3,(H,27,29)/b25-22-,26-12?
InChIKeyFIDZFIQCFCAXTM-WUIFGJMWSA-N
XLogP3.66
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 4833028) is N-(2,4-difluorophenyl)-2-[3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide is CCOc1ccc(C=NN2C(=O)C(CC(=O)Nc3ccc(F)cc3F)S/C2=N\C)cc1OC.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is FIDZFIQCFCAXTM-WUIFGJMWSA-N. The full InChI is InChI=1S/C22H22F2N4O4S/c1-4-32-17-8-5-13(9-18(17)31-3)12-26-28-21(30)19(33-22(28)25-2)11-20(29)27-16-7-6-14(23)10-15(16)24/h5-10,12,19H,4,11H2,1-3H3,(H,27,29)/b25-22-,26-12?.
What are the key properties of N-(2,4-difluorophenyl)-2-[3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2,4-difluorophenyl)-2-[3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 476.51 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 4833028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).