2-(6-fluoro-1H-indol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide

C15H19FN2O2S — CID 111436084

IUPAC2-(6-fluoro-1H-indol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCSCC(C)(O)CNC(=O)Cc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C15H19FN2O2S/c1-15(20,9-21-2)8-18-14(19)5-10-7-17-13-6-11(16)3-4-12(10)13/h3-4,6-7,17,20H,5,8-9H2,1-2H3,(H,18,19)
InChIKeyJJBNSUPIFJOWIT-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.08
Rot. Bonds6

About 2-(6-fluoro-1H-indol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide

2-(6-fluoro-1H-indol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide (PubChem CID 111436084) has the molecular formula C15H19FN2O2S and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(6-fluoro-1H-indol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
PubChem CID111436084
Molecular FormulaC15H19FN2O2S
Molecular Weight310.39 g/mol
Exact Mass310.12
IUPAC Name2-(6-fluoro-1H-indol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCSCC(C)(O)CNC(=O)Cc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C15H19FN2O2S/c1-15(20,9-21-2)8-18-14(19)5-10-7-17-13-6-11(16)3-4-12(10)13/h3-4,6-7,17,20H,5,8-9H2,1-2H3,(H,18,19)
InChIKeyJJBNSUPIFJOWIT-UHFFFAOYSA-N
XLogP2.08
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 111436028
2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 119187887
N-[2-(dimethylamino)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209367
2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 95984115
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 110931259
3-hydroxy-4-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 66002723
N-(3-acetamidophenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 110861296
2-(6-fluoro-1H-indol-3-yl)-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 111464326
methyl 2-cyclopropyl-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate
CID 119041888
N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209364
2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide
CID 113209373
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide
CID 113084455

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide (CID 111436084) is 2-(6-fluoro-1H-indol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(6-fluoro-1H-indol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(6-fluoro-1H-indol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide is CSCC(C)(O)CNC(=O)Cc1c[nH]c2cc(F)ccc12.
What is the InChIKey of 2-(6-fluoro-1H-indol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The InChIKey is JJBNSUPIFJOWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2S/c1-15(20,9-21-2)8-18-14(19)5-10-7-17-13-6-11(16)3-4-12(10)13/h3-4,6-7,17,20H,5,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-(6-fluoro-1H-indol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
2-(6-fluoro-1H-indol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide has a molecular weight of 310.39 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 111436084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).