N,N-diethyl-2-(9H-fluoren-9-ylsulfinyl)acetamide

C19H21NO2S — CID 70681514

IUPACN,N-diethyl-2-(9H-fluoren-9-ylsulfinyl)acetamide
SMILESCCN(CC)C(=O)CS(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H21NO2S/c1-3-20(4-2)18(21)13-23(22)19-16-11-7-5-9-14(16)15-10-6-8-12-17(15)19/h5-12,19H,3-4,13H2,1-2H3
InChIKeyIJIIWVZPFWPDBA-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.37
Rot. Bonds5

About N,N-diethyl-2-(9H-fluoren-9-ylsulfinyl)acetamide

N,N-diethyl-2-(9H-fluoren-9-ylsulfinyl)acetamide (PubChem CID 70681514) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is N,N-diethyl-2-(9H-fluoren-9-ylsulfinyl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(9H-fluoren-9-ylsulfinyl)acetamide
PubChem CID70681514
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC NameN,N-diethyl-2-(9H-fluoren-9-ylsulfinyl)acetamide
SMILESCCN(CC)C(=O)CS(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H21NO2S/c1-3-20(4-2)18(21)13-23(22)19-16-11-7-5-9-14(16)15-10-6-8-12-17(15)19/h5-12,19H,3-4,13H2,1-2H3
InChIKeyIJIIWVZPFWPDBA-UHFFFAOYSA-N
XLogP3.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(9H-fluoren-9-ylsulfinyl)acetamide?
The IUPAC name of N,N-diethyl-2-(9H-fluoren-9-ylsulfinyl)acetamide (CID 70681514) is N,N-diethyl-2-(9H-fluoren-9-ylsulfinyl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(9H-fluoren-9-ylsulfinyl)acetamide?
The canonical SMILES for N,N-diethyl-2-(9H-fluoren-9-ylsulfinyl)acetamide is CCN(CC)C(=O)CS(=O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of N,N-diethyl-2-(9H-fluoren-9-ylsulfinyl)acetamide?
The InChIKey is IJIIWVZPFWPDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-3-20(4-2)18(21)13-23(22)19-16-11-7-5-9-14(16)15-10-6-8-12-17(15)19/h5-12,19H,3-4,13H2,1-2H3.
What are the key properties of N,N-diethyl-2-(9H-fluoren-9-ylsulfinyl)acetamide?
N,N-diethyl-2-(9H-fluoren-9-ylsulfinyl)acetamide has a molecular weight of 327.45 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(9H-fluoren-9-ylsulfinyl)acetamide is sourced from PubChem (CID 70681514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).