2-(1-ethylindol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide

C17H24N2O2S — CID 111436011

IUPAC2-(1-ethylindol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCCn1cc(CC(=O)NCC(C)(O)CSC)c2ccccc21
InChIInChI=1S/C17H24N2O2S/c1-4-19-10-13(14-7-5-6-8-15(14)19)9-16(20)18-11-17(2,21)12-22-3/h5-8,10,21H,4,9,11-12H2,1-3H3,(H,18,20)
InChIKeyVFXNZIJJYLLHOJ-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.43
Rot. Bonds7

About 2-(1-ethylindol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide

2-(1-ethylindol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide (PubChem CID 111436011) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-(1-ethylindol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-ethylindol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
PubChem CID111436011
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name2-(1-ethylindol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCCn1cc(CC(=O)NCC(C)(O)CSC)c2ccccc21
InChIInChI=1S/C17H24N2O2S/c1-4-19-10-13(14-7-5-6-8-15(14)19)9-16(20)18-11-17(2,21)12-22-3/h5-8,10,21H,4,9,11-12H2,1-3H3,(H,18,20)
InChIKeyVFXNZIJJYLLHOJ-UHFFFAOYSA-N
XLogP2.43
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide
CID 103681678
2-(2,4-dimethylquinolin-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 111436050
(2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid
CID 119244285
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 95984125
2-[[2-(1-ethylindol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 119200487
2-(1-ethylindol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide
CID 46963941
2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 90522997
2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696950
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)isoquinoline-1-carboxamide
CID 103681634
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(1-methylindol-3-yl)acetamide
CID 111482750
N-[(3-bromophenyl)methyl]-3-(1-ethylindol-3-yl)propanamide
CID 20899803
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamoyl]benzoic acid
CID 106244371

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The IUPAC name of 2-(1-ethylindol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide (CID 111436011) is 2-(1-ethylindol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(1-ethylindol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(1-ethylindol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide is CCn1cc(CC(=O)NCC(C)(O)CSC)c2ccccc21.
What is the InChIKey of 2-(1-ethylindol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The InChIKey is VFXNZIJJYLLHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-4-19-10-13(14-7-5-6-8-15(14)19)9-16(20)18-11-17(2,21)12-22-3/h5-8,10,21H,4,9,11-12H2,1-3H3,(H,18,20).
What are the key properties of 2-(1-ethylindol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
2-(1-ethylindol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide has a molecular weight of 320.46 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 111436011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).