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

C13H11ClFN3OS — CID 43301227

IUPAC2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-chloro-4-fluorophenyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2ccc(F)cc2Cl)nc1
InChIInChI=1S/C13H11ClFN3OS/c14-10-5-8(15)1-3-11(10)18-12(19)7-20-13-4-2-9(16)6-17-13/h1-6H,7,16H2,(H,18,19)
InChIKeyBTWPVIMFPMOGOY-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.19
Rot. Bonds4

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

2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-chloro-4-fluorophenyl)acetamide (PubChem CID 43301227) has the molecular formula C13H11ClFN3OS and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-chloro-4-fluorophenyl)acetamide
PubChem CID43301227
Molecular FormulaC13H11ClFN3OS
Molecular Weight311.77 g/mol
Exact Mass311.03
IUPAC Name2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-chloro-4-fluorophenyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2ccc(F)cc2Cl)nc1
InChIInChI=1S/C13H11ClFN3OS/c14-10-5-8(15)1-3-11(10)18-12(19)7-20-13-4-2-9(16)6-17-13/h1-6H,7,16H2,(H,18,19)
InChIKeyBTWPVIMFPMOGOY-UHFFFAOYSA-N
XLogP3.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide
CID 7810086
2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide
CID 79130440
N-(2-chloro-4-fluorophenyl)-2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53153937
2-(4-amino-3-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide
CID 79127531
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 135458586
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide
CID 43301080
2-(5-amino-2-pyridinyl)-N-(2-chloro-5-fluorophenyl)acetamide
CID 107528543
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide
CID 43304005
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79128006
6-[(2-chloro-5-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 102616314
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 43301243
N-(2-chloro-4-fluorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708633

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-chloro-4-fluorophenyl)acetamide (CID 43301227) is 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-chloro-4-fluorophenyl)acetamide is Nc1ccc(SCC(=O)Nc2ccc(F)cc2Cl)nc1.
What is the InChIKey of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-chloro-4-fluorophenyl)acetamide?
The InChIKey is BTWPVIMFPMOGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3OS/c14-10-5-8(15)1-3-11(10)18-12(19)7-20-13-4-2-9(16)6-17-13/h1-6H,7,16H2,(H,18,19).
What are the key properties of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-chloro-4-fluorophenyl)acetamide?
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-chloro-4-fluorophenyl)acetamide has a molecular weight of 311.77 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 43301227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).