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

C14H22N4OS — CID 43875227

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCn1c(C)nnc1SCC(=O)NC1CC2CCC1C2
InChIInChI=1S/C14H22N4OS/c1-3-18-9(2)16-17-14(18)20-8-13(19)15-12-7-10-4-5-11(12)6-10/h10-12H,3-8H2,1-2H3,(H,15,19)
InChIKeyDNSKPEZBUQNSKJ-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.00
Rot. Bonds5

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

N-(2-bicyclo[2.2.1]heptanyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 43875227) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID43875227
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCn1c(C)nnc1SCC(=O)NC1CC2CCC1C2
InChIInChI=1S/C14H22N4OS/c1-3-18-9(2)16-17-14(18)20-8-13(19)15-12-7-10-4-5-11(12)6-10/h10-12H,3-8H2,1-2H3,(H,15,19)
InChIKeyDNSKPEZBUQNSKJ-UHFFFAOYSA-N
XLogP2.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 43875228
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-(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
N-(2-adamantyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 112774274
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 92644827
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 8723932
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 7030170
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
2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 6468543

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 43875227) is N-(2-bicyclo[2.2.1]heptanyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCn1c(C)nnc1SCC(=O)NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is DNSKPEZBUQNSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-3-18-9(2)16-17-14(18)20-8-13(19)15-12-7-10-4-5-11(12)6-10/h10-12H,3-8H2,1-2H3,(H,15,19).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 294.42 g/mol, XLogP of 2.00, 5 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-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 43875227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).