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

C18H24FN5OS — CID 4793086

IUPAC2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESNn1c(SCC(=O)NCCc2ccc(F)cc2)nnc1C1CCCCC1
InChIInChI=1S/C18H24FN5OS/c19-15-8-6-13(7-9-15)10-11-21-16(25)12-26-18-23-22-17(24(18)20)14-4-2-1-3-5-14/h6-9,14H,1-5,10-12,20H2,(H,21,25)
InChIKeyINCBSYDAUGCRFV-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.63
Rot. Bonds7

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

2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 4793086) has the molecular formula C18H24FN5OS and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID4793086
Molecular FormulaC18H24FN5OS
Molecular Weight377.49 g/mol
Exact Mass377.17
IUPAC Name2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESNn1c(SCC(=O)NCCc2ccc(F)cc2)nnc1C1CCCCC1
InChIInChI=1S/C18H24FN5OS/c19-15-8-6-13(7-9-15)10-11-21-16(25)12-26-18-23-22-17(24(18)20)14-4-2-1-3-5-14/h6-9,14H,1-5,10-12,20H2,(H,21,25)
InChIKeyINCBSYDAUGCRFV-UHFFFAOYSA-N
XLogP2.63
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 4793086) is 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide is Nn1c(SCC(=O)NCCc2ccc(F)cc2)nnc1C1CCCCC1.
What is the InChIKey of 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is INCBSYDAUGCRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5OS/c19-15-8-6-13(7-9-15)10-11-21-16(25)12-26-18-23-22-17(24(18)20)14-4-2-1-3-5-14/h6-9,14H,1-5,10-12,20H2,(H,21,25).
What are the key properties of 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 4793086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).