2,2-bis(4-fluorophenyl)-2-sulfanylacetamide

C14H11F2NOS — CID 87771670

IUPAC2,2-bis(4-fluorophenyl)-2-sulfanylacetamide
SMILESNC(=O)C(S)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H11F2NOS/c15-11-5-1-9(2-6-11)14(19,13(17)18)10-3-7-12(16)8-4-10/h1-8,19H,(H2,17,18)
InChIKeyPOXGOOBLZYNRKS-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.62
Rot. Bonds3

About 2,2-bis(4-fluorophenyl)-2-sulfanylacetamide

2,2-bis(4-fluorophenyl)-2-sulfanylacetamide (PubChem CID 87771670) has the molecular formula C14H11F2NOS and a molecular weight of 279.31 g/mol. Its IUPAC name is 2,2-bis(4-fluorophenyl)-2-sulfanylacetamide.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)-2-sulfanylacetamide
PubChem CID87771670
Molecular FormulaC14H11F2NOS
Molecular Weight279.31 g/mol
Exact Mass279.05
IUPAC Name2,2-bis(4-fluorophenyl)-2-sulfanylacetamide
SMILESNC(=O)C(S)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H11F2NOS/c15-11-5-1-9(2-6-11)14(19,13(17)18)10-3-7-12(16)8-4-10/h1-8,19H,(H2,17,18)
InChIKeyPOXGOOBLZYNRKS-UHFFFAOYSA-N
XLogP2.62
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2,2-bis(4-fluorophenyl)-2-sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-tris(4-fluorophenyl)acetic acid
CID 91545050
S-[tris(4-fluorophenyl)methyl] carbamothioate
CID 24886988
2-fluoro-2,2-bis(4-fluorophenyl)acetate
CID 20636369
2-[4-[(4-fluorophenyl)methyl]phenyl]-2-methylpropanamide
CID 70707919
2-amino-2-(4-fluorophenyl)-2-hydroxyacetic acid
CID 70123452
2-fluoro-2-(4-fluorophenyl)propanedioic acid
CID 139618704
chloromethane;4-fluorobenzamide
CID 158476805
2-(4-fluoroanilino)-2-(4-fluorophenyl)butanamide
CID 60996994
bromomethane;2-fluoro-2,2-bis(4-fluorophenyl)acetate
CID 20636363
1,1-difluoro-1-(4-fluorophenyl)propan-2-one
CID 83854791
carbamic acid;4-fluorophenol
CID 67037635
(2R)-2-amino-2-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 130618697

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-fluorophenyl)-2-sulfanylacetamide?
The IUPAC name of 2,2-bis(4-fluorophenyl)-2-sulfanylacetamide (CID 87771670) is 2,2-bis(4-fluorophenyl)-2-sulfanylacetamide.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)-2-sulfanylacetamide?
The canonical SMILES for 2,2-bis(4-fluorophenyl)-2-sulfanylacetamide is NC(=O)C(S)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2,2-bis(4-fluorophenyl)-2-sulfanylacetamide?
The InChIKey is POXGOOBLZYNRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NOS/c15-11-5-1-9(2-6-11)14(19,13(17)18)10-3-7-12(16)8-4-10/h1-8,19H,(H2,17,18).
What are the key properties of 2,2-bis(4-fluorophenyl)-2-sulfanylacetamide?
2,2-bis(4-fluorophenyl)-2-sulfanylacetamide has a molecular weight of 279.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-fluorophenyl)-2-sulfanylacetamide is sourced from PubChem (CID 87771670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).