2-[[4-(2-ethoxyphenyl)-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

C24H24FN5O3S — CID 1154975

IUPAC2-[[4-(2-ethoxyphenyl)-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1ccccc1-n1c(CNc2ccc(F)cc2)nnc1SCC(=O)NCc1ccco1
InChIInChI=1S/C24H24FN5O3S/c1-2-32-21-8-4-3-7-20(21)30-22(15-26-18-11-9-17(25)10-12-18)28-29-24(30)34-16-23(31)27-14-19-6-5-13-33-19/h3-13,26H,2,14-16H2,1H3,(H,27,31)
InChIKeyQFEATUPBPMFOCL-UHFFFAOYSA-N
MW481.55 g/mol
LogP4.42
Rot. Bonds11

About 2-[[4-(2-ethoxyphenyl)-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

2-[[4-(2-ethoxyphenyl)-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 1154975) has the molecular formula C24H24FN5O3S and a molecular weight of 481.55 g/mol. Its IUPAC name is 2-[[4-(2-ethoxyphenyl)-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[4-(2-ethoxyphenyl)-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID1154975
Molecular FormulaC24H24FN5O3S
Molecular Weight481.55 g/mol
Exact Mass481.16
IUPAC Name2-[[4-(2-ethoxyphenyl)-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1ccccc1-n1c(CNc2ccc(F)cc2)nnc1SCC(=O)NCc1ccco1
InChIInChI=1S/C24H24FN5O3S/c1-2-32-21-8-4-3-7-20(21)30-22(15-26-18-11-9-17(25)10-12-18)28-29-24(30)34-16-23(31)27-14-19-6-5-13-33-19/h3-13,26H,2,14-16H2,1H3,(H,27,31)
InChIKeyQFEATUPBPMFOCL-UHFFFAOYSA-N
XLogP4.42
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[4-(2-ethoxyphenyl)-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-ethoxyphenyl)-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[4-(2-ethoxyphenyl)-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 1154975) is 2-[[4-(2-ethoxyphenyl)-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[4-(2-ethoxyphenyl)-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[4-(2-ethoxyphenyl)-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is CCOc1ccccc1-n1c(CNc2ccc(F)cc2)nnc1SCC(=O)NCc1ccco1.
What is the InChIKey of 2-[[4-(2-ethoxyphenyl)-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is QFEATUPBPMFOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3S/c1-2-32-21-8-4-3-7-20(21)30-22(15-26-18-11-9-17(25)10-12-18)28-29-24(30)34-16-23(31)27-14-19-6-5-13-33-19/h3-13,26H,2,14-16H2,1H3,(H,27,31).
What are the key properties of 2-[[4-(2-ethoxyphenyl)-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[[4-(2-ethoxyphenyl)-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 481.55 g/mol, XLogP of 4.42, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-ethoxyphenyl)-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 1154975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).