N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methylsulfanylbenzamide

C19H20N2O2S — CID 71788663

IUPACN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC(O)c1cn(C)c2ccccc12
InChIInChI=1S/C19H20N2O2S/c1-21-12-15(13-7-3-5-9-16(13)21)17(22)11-20-19(23)14-8-4-6-10-18(14)24-2/h3-10,12,17,22H,11H2,1-2H3,(H,20,23)
InChIKeyXMEAGKLUKLPJSU-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.36
Rot. Bonds5

About N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methylsulfanylbenzamide

N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methylsulfanylbenzamide (PubChem CID 71788663) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methylsulfanylbenzamide
PubChem CID71788663
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC(O)c1cn(C)c2ccccc12
InChIInChI=1S/C19H20N2O2S/c1-21-12-15(13-7-3-5-9-16(13)21)17(22)11-20-19(23)14-8-4-6-10-18(14)24-2/h3-10,12,17,22H,11H2,1-2H3,(H,20,23)
InChIKeyXMEAGKLUKLPJSU-UHFFFAOYSA-N
XLogP3.36
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methylsulfanylbenzamide (CID 71788663) is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCC(O)c1cn(C)c2ccccc12.
What is the InChIKey of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methylsulfanylbenzamide?
The InChIKey is XMEAGKLUKLPJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-21-12-15(13-7-3-5-9-16(13)21)17(22)11-20-19(23)14-8-4-6-10-18(14)24-2/h3-10,12,17,22H,11H2,1-2H3,(H,20,23).
What are the key properties of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methylsulfanylbenzamide?
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methylsulfanylbenzamide has a molecular weight of 340.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 71788663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).