2-(3-fluorophenyl)sulfanyl-2-phenylacetamide

C14H12FNOS — CID 162661582

IUPAC2-(3-fluorophenyl)sulfanyl-2-phenylacetamide
SMILESNC(=O)C(Sc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C14H12FNOS/c15-11-7-4-8-12(9-11)18-13(14(16)17)10-5-2-1-3-6-10/h1-9,13H,(H2,16,17)
InChIKeyOVPBOLLYRHKBTR-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.14
Rot. Bonds4

About 2-(3-fluorophenyl)sulfanyl-2-phenylacetamide

2-(3-fluorophenyl)sulfanyl-2-phenylacetamide (PubChem CID 162661582) has the molecular formula C14H12FNOS and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanyl-2-phenylacetamide
PubChem CID162661582
Molecular FormulaC14H12FNOS
Molecular Weight261.32 g/mol
Exact Mass261.06
IUPAC Name2-(3-fluorophenyl)sulfanyl-2-phenylacetamide
SMILESNC(=O)C(Sc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C14H12FNOS/c15-11-7-4-8-12(9-11)18-13(14(16)17)10-5-2-1-3-6-10/h1-9,13H,(H2,16,17)
InChIKeyOVPBOLLYRHKBTR-UHFFFAOYSA-N
XLogP3.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfanyl-2-phenylacetamide?
The IUPAC name of 2-(3-fluorophenyl)sulfanyl-2-phenylacetamide (CID 162661582) is 2-(3-fluorophenyl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanyl-2-phenylacetamide?
The canonical SMILES for 2-(3-fluorophenyl)sulfanyl-2-phenylacetamide is NC(=O)C(Sc1cccc(F)c1)c1ccccc1.
What is the InChIKey of 2-(3-fluorophenyl)sulfanyl-2-phenylacetamide?
The InChIKey is OVPBOLLYRHKBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNOS/c15-11-7-4-8-12(9-11)18-13(14(16)17)10-5-2-1-3-6-10/h1-9,13H,(H2,16,17).
What are the key properties of 2-(3-fluorophenyl)sulfanyl-2-phenylacetamide?
2-(3-fluorophenyl)sulfanyl-2-phenylacetamide has a molecular weight of 261.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 162661582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).