2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide

C23H20N4OS — CID 3207633

IUPAC2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCc1ccc2cc(C#N)c(SCC(=O)NCCc3c[nH]c4ccccc34)nc2c1
InChIInChI=1S/C23H20N4OS/c1-15-6-7-16-11-18(12-24)23(27-21(16)10-15)29-14-22(28)25-9-8-17-13-26-20-5-3-2-4-19(17)20/h2-7,10-11,13,26H,8-9,14H2,1H3,(H,25,28)
InChIKeyKBORMSVFKNTPEX-UHFFFAOYSA-N
MW400.51 g/mol
LogP4.35
Rot. Bonds6

About 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 3207633) has the molecular formula C23H20N4OS and a molecular weight of 400.51 g/mol. Its IUPAC name is 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID3207633
Molecular FormulaC23H20N4OS
Molecular Weight400.51 g/mol
Exact Mass400.14
IUPAC Name2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCc1ccc2cc(C#N)c(SCC(=O)NCCc3c[nH]c4ccccc34)nc2c1
InChIInChI=1S/C23H20N4OS/c1-15-6-7-16-11-18(12-24)23(27-21(16)10-15)29-14-22(28)25-9-8-17-13-26-20-5-3-2-4-19(17)20/h2-7,10-11,13,26H,8-9,14H2,1H3,(H,25,28)
InChIKeyKBORMSVFKNTPEX-UHFFFAOYSA-N
XLogP4.35
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide with MolForge

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Related Compounds

2-(3-ethylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4125256
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 1151269
N-[2-(1H-indol-3-yl)ethyl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9345766
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
N-benzyl-2-(3,7-dimethylquinolin-2-yl)sulfanylacetamide
CID 864546
ethyl 4-[[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 995334
2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
CID 3207699
methyl 4-[[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1151265
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18107803
N'-(2,5-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 50969885
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 3207488

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 3207633) is 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide is Cc1ccc2cc(C#N)c(SCC(=O)NCCc3c[nH]c4ccccc34)nc2c1.
What is the InChIKey of 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is KBORMSVFKNTPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4OS/c1-15-6-7-16-11-18(12-24)23(27-21(16)10-15)29-14-22(28)25-9-8-17-13-26-20-5-3-2-4-19(17)20/h2-7,10-11,13,26H,8-9,14H2,1H3,(H,25,28).
What are the key properties of 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 400.51 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 3207633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).