N,N-diethyl-2-fluoro-2,2-bis(phenylsulfanyl)acetamide

C18H20FNOS2 — CID 122227782

IUPACN,N-diethyl-2-fluoro-2,2-bis(phenylsulfanyl)acetamide
SMILESCCN(CC)C(=O)C(F)(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C18H20FNOS2/c1-3-20(4-2)17(21)18(19,22-15-11-7-5-8-12-15)23-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyGCCRSAYGDNHTKB-UHFFFAOYSA-N
MW349.50 g/mol
LogP5.06
Rot. Bonds7

About N,N-diethyl-2-fluoro-2,2-bis(phenylsulfanyl)acetamide

N,N-diethyl-2-fluoro-2,2-bis(phenylsulfanyl)acetamide (PubChem CID 122227782) has the molecular formula C18H20FNOS2 and a molecular weight of 349.50 g/mol. Its IUPAC name is N,N-diethyl-2-fluoro-2,2-bis(phenylsulfanyl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-fluoro-2,2-bis(phenylsulfanyl)acetamide
PubChem CID122227782
Molecular FormulaC18H20FNOS2
Molecular Weight349.50 g/mol
Exact Mass349.10
IUPAC NameN,N-diethyl-2-fluoro-2,2-bis(phenylsulfanyl)acetamide
SMILESCCN(CC)C(=O)C(F)(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C18H20FNOS2/c1-3-20(4-2)17(21)18(19,22-15-11-7-5-8-12-15)23-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyGCCRSAYGDNHTKB-UHFFFAOYSA-N
XLogP5.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.50
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-fluoro-2,2-bis(phenylsulfanyl)acetamide?
The IUPAC name of N,N-diethyl-2-fluoro-2,2-bis(phenylsulfanyl)acetamide (CID 122227782) is N,N-diethyl-2-fluoro-2,2-bis(phenylsulfanyl)acetamide.
What is the SMILES notation for N,N-diethyl-2-fluoro-2,2-bis(phenylsulfanyl)acetamide?
The canonical SMILES for N,N-diethyl-2-fluoro-2,2-bis(phenylsulfanyl)acetamide is CCN(CC)C(=O)C(F)(Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of N,N-diethyl-2-fluoro-2,2-bis(phenylsulfanyl)acetamide?
The InChIKey is GCCRSAYGDNHTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNOS2/c1-3-20(4-2)17(21)18(19,22-15-11-7-5-8-12-15)23-16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-fluoro-2,2-bis(phenylsulfanyl)acetamide?
N,N-diethyl-2-fluoro-2,2-bis(phenylsulfanyl)acetamide has a molecular weight of 349.50 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-fluoro-2,2-bis(phenylsulfanyl)acetamide is sourced from PubChem (CID 122227782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).