N-cyclohexyl-2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide

C17H24N4O2S — CID 6500235

IUPACN-cyclohexyl-2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCC(C)n1c(SCC(=O)NC2CCCCC2)nnc1-c1ccco1
InChIInChI=1S/C17H24N4O2S/c1-12(2)21-16(14-9-6-10-23-14)19-20-17(21)24-11-15(22)18-13-7-4-3-5-8-13/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,18,22)
InChIKeyJZNBLXVAEAAYGA-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.66
Rot. Bonds6

About N-cyclohexyl-2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-cyclohexyl-2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 6500235) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID6500235
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-cyclohexyl-2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCC(C)n1c(SCC(=O)NC2CCCCC2)nnc1-c1ccco1
InChIInChI=1S/C17H24N4O2S/c1-12(2)21-16(14-9-6-10-23-14)19-20-17(21)24-11-15(22)18-13-7-4-3-5-8-13/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,18,22)
InChIKeyJZNBLXVAEAAYGA-UHFFFAOYSA-N
XLogP3.66
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 6500235) is N-cyclohexyl-2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide is CC(C)n1c(SCC(=O)NC2CCCCC2)nnc1-c1ccco1.
What is the InChIKey of N-cyclohexyl-2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is JZNBLXVAEAAYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-12(2)21-16(14-9-6-10-23-14)19-20-17(21)24-11-15(22)18-13-7-4-3-5-8-13/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,18,22).
What are the key properties of N-cyclohexyl-2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-cyclohexyl-2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 348.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 6500235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).