N-(2-bicyclo[2.2.1]heptanyl)-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C15H24N4OS — CID 43875228

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCc1nnc(SCC(=O)NC2CC3CCC2C3)n1CC
InChIInChI=1S/C15H24N4OS/c1-3-13-17-18-15(19(13)4-2)21-9-14(20)16-12-8-10-5-6-11(12)7-10/h10-12H,3-9H2,1-2H3,(H,16,20)
InChIKeyQLLMRVDCPPNACH-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.26
Rot. Bonds6

About N-(2-bicyclo[2.2.1]heptanyl)-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(2-bicyclo[2.2.1]heptanyl)-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 43875228) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID43875228
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCc1nnc(SCC(=O)NC2CC3CCC2C3)n1CC
InChIInChI=1S/C15H24N4OS/c1-3-13-17-18-15(19(13)4-2)21-9-14(20)16-12-8-10-5-6-11(12)7-10/h10-12H,3-9H2,1-2H3,(H,16,20)
InChIKeyQLLMRVDCPPNACH-UHFFFAOYSA-N
XLogP2.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-bicyclo[2.2.1]heptanyl)-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 43875227
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 124832736
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 98732017
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 51108120
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2896571
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 98230994
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide
CID 18555874
2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 19716482
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 8723932
2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 126332825
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 23328186
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 7030042

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 43875228) is N-(2-bicyclo[2.2.1]heptanyl)-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCc1nnc(SCC(=O)NC2CC3CCC2C3)n1CC.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is QLLMRVDCPPNACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-3-13-17-18-15(19(13)4-2)21-9-14(20)16-12-8-10-5-6-11(12)7-10/h10-12H,3-9H2,1-2H3,(H,16,20).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 308.45 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 43875228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).