2-(9H-fluoren-1-ylmethylsulfinyl)-N-(2-hydroxyethyl)acetamide

C18H19NO3S — CID 11702659

IUPAC2-(9H-fluoren-1-ylmethylsulfinyl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(CS(=O)Cc1cccc2c1Cc1ccccc1-2)NCCO
InChIInChI=1S/C18H19NO3S/c20-9-8-19-18(21)12-23(22)11-14-5-3-7-16-15-6-2-1-4-13(15)10-17(14)16/h1-7,20H,8-12H2,(H,19,21)
InChIKeyGXHDROGTMWLNLA-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.62
Rot. Bonds6

About 2-(9H-fluoren-1-ylmethylsulfinyl)-N-(2-hydroxyethyl)acetamide

2-(9H-fluoren-1-ylmethylsulfinyl)-N-(2-hydroxyethyl)acetamide (PubChem CID 11702659) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-(9H-fluoren-1-ylmethylsulfinyl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(9H-fluoren-1-ylmethylsulfinyl)-N-(2-hydroxyethyl)acetamide
PubChem CID11702659
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name2-(9H-fluoren-1-ylmethylsulfinyl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(CS(=O)Cc1cccc2c1Cc1ccccc1-2)NCCO
InChIInChI=1S/C18H19NO3S/c20-9-8-19-18(21)12-23(22)11-14-5-3-7-16-15-6-2-1-4-13(15)10-17(14)16/h1-7,20H,8-12H2,(H,19,21)
InChIKeyGXHDROGTMWLNLA-UHFFFAOYSA-N
XLogP1.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9H-fluoren-1-ylmethylsulfinyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 86078743
2-(9H-fluoren-1-yl)acetamide
CID 22939017
2-(naphthalen-1-ylmethylsulfinyl)-N-propylacetamide
CID 47024696
2-[(R)-(2-methylphenyl)methylsulfinyl]-N-propylacetamide
CID 94800532
ethane;1-ethyl-9H-fluorene;propane
CID 167686584
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
3-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]-2-methylpropanoic acid
CID 70613137
3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid
CID 23220870
2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate
CID 160987584
S-ethyl 2-(9H-fluoren-1-yl)ethanethioate
CID 172829129
N-butyl-2-[(2-methylphenyl)methylsulfinyl]acetamide
CID 47022755
2-[(S)-2-hydroxyethylsulfinyl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 97238910

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-1-ylmethylsulfinyl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(9H-fluoren-1-ylmethylsulfinyl)-N-(2-hydroxyethyl)acetamide (CID 11702659) is 2-(9H-fluoren-1-ylmethylsulfinyl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(9H-fluoren-1-ylmethylsulfinyl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(9H-fluoren-1-ylmethylsulfinyl)-N-(2-hydroxyethyl)acetamide is O=C(CS(=O)Cc1cccc2c1Cc1ccccc1-2)NCCO.
What is the InChIKey of 2-(9H-fluoren-1-ylmethylsulfinyl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is GXHDROGTMWLNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c20-9-8-19-18(21)12-23(22)11-14-5-3-7-16-15-6-2-1-4-13(15)10-17(14)16/h1-7,20H,8-12H2,(H,19,21).
What are the key properties of 2-(9H-fluoren-1-ylmethylsulfinyl)-N-(2-hydroxyethyl)acetamide?
2-(9H-fluoren-1-ylmethylsulfinyl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 329.42 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-1-ylmethylsulfinyl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 11702659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).