2-(3-ethylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide

C23H23N3OS — CID 4125256

IUPAC2-(3-ethylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCCc1cc2ccccc2nc1SCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H23N3OS/c1-2-16-13-17-7-3-5-9-20(17)26-23(16)28-15-22(27)24-12-11-18-14-25-21-10-6-4-8-19(18)21/h3-10,13-14,25H,2,11-12,15H2,1H3,(H,24,27)
InChIKeyLLYGPHYDPABDMA-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.73
Rot. Bonds7

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

2-(3-ethylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 4125256) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-(3-ethylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-ethylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID4125256
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC Name2-(3-ethylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCCc1cc2ccccc2nc1SCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H23N3OS/c1-2-16-13-17-7-3-5-9-20(17)26-23(16)28-15-22(27)24-12-11-18-14-25-21-10-6-4-8-19(18)21/h3-10,13-14,25H,2,11-12,15H2,1H3,(H,24,27)
InChIKeyLLYGPHYDPABDMA-UHFFFAOYSA-N
XLogP4.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 17417102
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 3207633
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 50780899
2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 9122960
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 71692027
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 30284047
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 51142957
3-[2-[(2-sulfonatosulfanylacetyl)amino]ethyl]-1H-indole
CID 3348198
2-(2-aminoethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 84553422

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(3-ethylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 4125256) is 2-(3-ethylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-ethylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-ethylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide is CCc1cc2ccccc2nc1SCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(3-ethylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is LLYGPHYDPABDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS/c1-2-16-13-17-7-3-5-9-20(17)26-23(16)28-15-22(27)24-12-11-18-14-25-21-10-6-4-8-19(18)21/h3-10,13-14,25H,2,11-12,15H2,1H3,(H,24,27).
What are the key properties of 2-(3-ethylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-(3-ethylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 389.52 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 4125256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).