2-(1-benzyl-5-hydroxy-2-methylsulfanylindol-3-yl)acetamide

C18H18N2O2S — CID 10663902

IUPAC2-(1-benzyl-5-hydroxy-2-methylsulfanylindol-3-yl)acetamide
SMILESCSc1c(CC(N)=O)c2cc(O)ccc2n1Cc1ccccc1
InChIInChI=1S/C18H18N2O2S/c1-23-18-15(10-17(19)22)14-9-13(21)7-8-16(14)20(18)11-12-5-3-2-4-6-12/h2-9,21H,10-11H2,1H3,(H2,19,22)
InChIKeyYDNLVXRKKNIQGV-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.14
Rot. Bonds5

About 2-(1-benzyl-5-hydroxy-2-methylsulfanylindol-3-yl)acetamide

2-(1-benzyl-5-hydroxy-2-methylsulfanylindol-3-yl)acetamide (PubChem CID 10663902) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(1-benzyl-5-hydroxy-2-methylsulfanylindol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzyl-5-hydroxy-2-methylsulfanylindol-3-yl)acetamide
PubChem CID10663902
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name2-(1-benzyl-5-hydroxy-2-methylsulfanylindol-3-yl)acetamide
SMILESCSc1c(CC(N)=O)c2cc(O)ccc2n1Cc1ccccc1
InChIInChI=1S/C18H18N2O2S/c1-23-18-15(10-17(19)22)14-9-13(21)7-8-16(14)20(18)11-12-5-3-2-4-6-12/h2-9,21H,10-11H2,1H3,(H2,19,22)
InChIKeyYDNLVXRKKNIQGV-UHFFFAOYSA-N
XLogP3.14
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5-hydroxy-2-methylsulfanylindol-3-yl)acetamide?
The IUPAC name of 2-(1-benzyl-5-hydroxy-2-methylsulfanylindol-3-yl)acetamide (CID 10663902) is 2-(1-benzyl-5-hydroxy-2-methylsulfanylindol-3-yl)acetamide.
What is the SMILES notation for 2-(1-benzyl-5-hydroxy-2-methylsulfanylindol-3-yl)acetamide?
The canonical SMILES for 2-(1-benzyl-5-hydroxy-2-methylsulfanylindol-3-yl)acetamide is CSc1c(CC(N)=O)c2cc(O)ccc2n1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-5-hydroxy-2-methylsulfanylindol-3-yl)acetamide?
The InChIKey is YDNLVXRKKNIQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-23-18-15(10-17(19)22)14-9-13(21)7-8-16(14)20(18)11-12-5-3-2-4-6-12/h2-9,21H,10-11H2,1H3,(H2,19,22).
What are the key properties of 2-(1-benzyl-5-hydroxy-2-methylsulfanylindol-3-yl)acetamide?
2-(1-benzyl-5-hydroxy-2-methylsulfanylindol-3-yl)acetamide has a molecular weight of 326.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-5-hydroxy-2-methylsulfanylindol-3-yl)acetamide is sourced from PubChem (CID 10663902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).