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

C17H22FN5OS — CID 7571638

IUPAC2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESNn1cnnc1SCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C17H22FN5OS/c18-14-8-6-13(7-9-14)10-22(15-4-2-1-3-5-15)16(24)11-25-17-21-20-12-23(17)19/h6-9,12,15H,1-5,10-11,19H2
InChIKeyPDWZHNKSZCYKNF-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.58
Rot. Bonds6

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

2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 7571638) has the molecular formula C17H22FN5OS and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID7571638
Molecular FormulaC17H22FN5OS
Molecular Weight363.46 g/mol
Exact Mass363.15
IUPAC Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESNn1cnnc1SCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C17H22FN5OS/c18-14-8-6-13(7-9-14)10-22(15-4-2-1-3-5-15)16(24)11-25-17-21-20-12-23(17)19/h6-9,12,15H,1-5,10-11,19H2
InChIKeyPDWZHNKSZCYKNF-UHFFFAOYSA-N
XLogP2.58
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide (CID 7571638) is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide is Nn1cnnc1SCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is PDWZHNKSZCYKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5OS/c18-14-8-6-13(7-9-14)10-22(15-4-2-1-3-5-15)16(24)11-25-17-21-20-12-23(17)19/h6-9,12,15H,1-5,10-11,19H2.
What are the key properties of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide?
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 7571638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).