2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide

C19H14ClFN2OS — CID 112815613

IUPAC2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide
SMILESO=C(Nc1ccc(F)cc1)C(Sc1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C19H14ClFN2OS/c20-14-6-11-17(22-12-14)25-18(13-4-2-1-3-5-13)19(24)23-16-9-7-15(21)8-10-16/h1-12,18H,(H,23,24)
InChIKeyCOHNLOLRKCSUHZ-UHFFFAOYSA-N
MW372.85 g/mol
LogP5.35
Rot. Bonds5

About 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide

2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide (PubChem CID 112815613) has the molecular formula C19H14ClFN2OS and a molecular weight of 372.85 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide
PubChem CID112815613
Molecular FormulaC19H14ClFN2OS
Molecular Weight372.85 g/mol
Exact Mass372.05
IUPAC Name2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide
SMILESO=C(Nc1ccc(F)cc1)C(Sc1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C19H14ClFN2OS/c20-14-6-11-17(22-12-14)25-18(13-4-2-1-3-5-13)19(24)23-16-9-7-15(21)8-10-16/h1-12,18H,(H,23,24)
InChIKeyCOHNLOLRKCSUHZ-UHFFFAOYSA-N
XLogP5.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.85
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide (CID 112815613) is 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide is O=C(Nc1ccc(F)cc1)C(Sc1ccc(Cl)cn1)c1ccccc1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide?
The InChIKey is COHNLOLRKCSUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2OS/c20-14-6-11-17(22-12-14)25-18(13-4-2-1-3-5-13)19(24)23-16-9-7-15(21)8-10-16/h1-12,18H,(H,23,24).
What are the key properties of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide?
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide has a molecular weight of 372.85 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide is sourced from PubChem (CID 112815613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).