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

C18H16F2N4OS — CID 7489235

IUPACN-ethyl-N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCN(C(=O)CSc1n[nH]c(-c2ccccc2F)n1)c1ccc(F)cc1
InChIInChI=1S/C18H16F2N4OS/c1-2-24(13-9-7-12(19)8-10-13)16(25)11-26-18-21-17(22-23-18)14-5-3-4-6-15(14)20/h3-10H,2,11H2,1H3,(H,21,22,23)
InChIKeyNYPHYQPFZBPVFJ-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.90
Rot. Bonds6

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

N-ethyl-N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 7489235) has the molecular formula C18H16F2N4OS and a molecular weight of 374.42 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID7489235
Molecular FormulaC18H16F2N4OS
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC NameN-ethyl-N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCN(C(=O)CSc1n[nH]c(-c2ccccc2F)n1)c1ccc(F)cc1
InChIInChI=1S/C18H16F2N4OS/c1-2-24(13-9-7-12(19)8-10-13)16(25)11-26-18-21-17(22-23-18)14-5-3-4-6-15(14)20/h3-10H,2,11H2,1H3,(H,21,22,23)
InChIKeyNYPHYQPFZBPVFJ-UHFFFAOYSA-N
XLogP3.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 7489235) is N-ethyl-N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCN(C(=O)CSc1n[nH]c(-c2ccccc2F)n1)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is NYPHYQPFZBPVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4OS/c1-2-24(13-9-7-12(19)8-10-13)16(25)11-26-18-21-17(22-23-18)14-5-3-4-6-15(14)20/h3-10H,2,11H2,1H3,(H,21,22,23).
What are the key properties of N-ethyl-N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-ethyl-N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 374.42 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 7489235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).