2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C16H19N5OS — CID 9122960

IUPAC2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCCn1cnnc1SCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H19N5OS/c1-2-21-11-19-20-16(21)23-10-15(22)17-8-7-12-9-18-14-6-4-3-5-13(12)14/h3-6,9,11,18H,2,7-8,10H2,1H3,(H,17,22)
InChIKeyAAEMRCFEILLROA-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.23
Rot. Bonds7

About 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 9122960) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID9122960
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCCn1cnnc1SCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H19N5OS/c1-2-21-11-19-20-16(21)23-10-15(22)17-8-7-12-9-18-14-6-4-3-5-13(12)14/h3-6,9,11,18H,2,7-8,10H2,1H3,(H,17,22)
InChIKeyAAEMRCFEILLROA-UHFFFAOYSA-N
XLogP2.23
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 17417102
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 27956433
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 9343330
2-(3-ethylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4125256
3-[2-[(2-sulfonatosulfanylacetyl)amino]ethyl]-1H-indole
CID 3348198
2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 27956964
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(1H-indol-3-yl)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064179
2-(2-aminoethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 84553422
N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-3-(tetrazol-1-yl)propanamide
CID 118986107
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 50969240
N-[2-(1H-indol-3-yl)ethyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 17435052

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 9122960) is 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is CCn1cnnc1SCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is AAEMRCFEILLROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-2-21-11-19-20-16(21)23-10-15(22)17-8-7-12-9-18-14-6-4-3-5-13(12)14/h3-6,9,11,18H,2,7-8,10H2,1H3,(H,17,22).
What are the key properties of 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 329.43 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 9122960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).