N-(4-ethyl-2-fluorophenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C18H19FN4OS2 — CID 71005866

IUPACN-(4-ethyl-2-fluorophenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCc1ccc(NC(=O)CSc2nnc(-c3ccsc3)n2CC)c(F)c1
InChIInChI=1S/C18H19FN4OS2/c1-3-12-5-6-15(14(19)9-12)20-16(24)11-26-18-22-21-17(23(18)4-2)13-7-8-25-10-13/h5-10H,3-4,11H2,1-2H3,(H,20,24)
InChIKeyHUGNJHGVZLIUCC-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.46
Rot. Bonds7

About N-(4-ethyl-2-fluorophenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(4-ethyl-2-fluorophenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 71005866) has the molecular formula C18H19FN4OS2 and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(4-ethyl-2-fluorophenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-ethyl-2-fluorophenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID71005866
Molecular FormulaC18H19FN4OS2
Molecular Weight390.51 g/mol
Exact Mass390.10
IUPAC NameN-(4-ethyl-2-fluorophenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCc1ccc(NC(=O)CSc2nnc(-c3ccsc3)n2CC)c(F)c1
InChIInChI=1S/C18H19FN4OS2/c1-3-12-5-6-15(14(19)9-12)20-16(24)11-26-18-22-21-17(23(18)4-2)13-7-8-25-10-13/h5-10H,3-4,11H2,1-2H3,(H,20,24)
InChIKeyHUGNJHGVZLIUCC-UHFFFAOYSA-N
XLogP4.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-2-fluorophenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-ethyl-2-fluorophenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 71005866) is N-(4-ethyl-2-fluorophenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-ethyl-2-fluorophenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-ethyl-2-fluorophenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCc1ccc(NC(=O)CSc2nnc(-c3ccsc3)n2CC)c(F)c1.
What is the InChIKey of N-(4-ethyl-2-fluorophenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is HUGNJHGVZLIUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS2/c1-3-12-5-6-15(14(19)9-12)20-16(24)11-26-18-22-21-17(23(18)4-2)13-7-8-25-10-13/h5-10H,3-4,11H2,1-2H3,(H,20,24).
What are the key properties of N-(4-ethyl-2-fluorophenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(4-ethyl-2-fluorophenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 390.51 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-2-fluorophenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 71005866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).