2-[[5-[2-(furan-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

C22H24N4O2S — CID 154760707

IUPAC2-[[5-[2-(furan-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CSc1n[nH]c(C=Cc2ccco2)n1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H24N4O2S/c1-15(17-9-8-16-5-2-3-6-18(16)13-17)23-21(27)14-29-22-24-20(25-26-22)11-10-19-7-4-12-28-19/h4,7-13,15H,2-3,5-6,14H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyPGDOBEPKERVHLM-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.42
Rot. Bonds7

About 2-[[5-[2-(furan-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

2-[[5-[2-(furan-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (PubChem CID 154760707) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 2-[[5-[2-(furan-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[5-[2-(furan-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
PubChem CID154760707
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name2-[[5-[2-(furan-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CSc1n[nH]c(C=Cc2ccco2)n1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H24N4O2S/c1-15(17-9-8-16-5-2-3-6-18(16)13-17)23-21(27)14-29-22-24-20(25-26-22)11-10-19-7-4-12-28-19/h4,7-13,15H,2-3,5-6,14H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyPGDOBEPKERVHLM-UHFFFAOYSA-N
XLogP4.42
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-[2-(furan-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide with MolForge

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Related Compounds

2-pyrimidin-2-ylsulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 51110143
3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 71867228
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 8921633
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 8953766
2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 8951616
N-[2-oxo-2-[[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide
CID 9396624
N-(2-methyl-1-phenylpropyl)-2-[[5-[(E)-2-phenylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55518681
N-[2-oxo-2-[[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide
CID 9396618
3-[4-(furan-2-ylmethyl)-5-[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide
CID 55517265
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 8756240
2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 8873161
2-phenacylsulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 95685565

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-(furan-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The IUPAC name of 2-[[5-[2-(furan-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (CID 154760707) is 2-[[5-[2-(furan-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[[5-[2-(furan-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[[5-[2-(furan-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is CC(NC(=O)CSc1n[nH]c(C=Cc2ccco2)n1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[[5-[2-(furan-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The InChIKey is PGDOBEPKERVHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-15(17-9-8-16-5-2-3-6-18(16)13-17)23-21(27)14-29-22-24-20(25-26-22)11-10-19-7-4-12-28-19/h4,7-13,15H,2-3,5-6,14H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-[[5-[2-(furan-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
2-[[5-[2-(furan-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide has a molecular weight of 408.53 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-(furan-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is sourced from PubChem (CID 154760707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).