2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide

C15H14ClFN2OS — CID 79128006

IUPAC2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2cc(F)ccc2N)c(Cl)c1
InChIInChI=1S/C15H14ClFN2OS/c1-9-2-5-13(11(16)6-9)19-15(20)8-21-14-7-10(17)3-4-12(14)18/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyJNESHBDTKMVWKS-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.10
Rot. Bonds4

About 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide

2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide (PubChem CID 79128006) has the molecular formula C15H14ClFN2OS and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
PubChem CID79128006
Molecular FormulaC15H14ClFN2OS
Molecular Weight324.81 g/mol
Exact Mass324.05
IUPAC Name2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2cc(F)ccc2N)c(Cl)c1
InChIInChI=1S/C15H14ClFN2OS/c1-9-2-5-13(11(16)6-9)19-15(20)8-21-14-7-10(17)3-4-12(14)18/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyJNESHBDTKMVWKS-UHFFFAOYSA-N
XLogP4.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-methylphenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79127095
N-(2-chloro-4-fluorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708633
2-(4-amino-3-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide
CID 79127531
2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide
CID 79130440
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide
CID 43304005
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide
CID 79126805
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79126902
2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 43304793
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 79126919
2-(2-amino-5-bromophenyl)sulfanyl-N-(2-bromo-4-methylphenyl)acetamide
CID 79519578
N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 43519004
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 79126482

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide (CID 79128006) is 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2cc(F)ccc2N)c(Cl)c1.
What is the InChIKey of 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide?
The InChIKey is JNESHBDTKMVWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2OS/c1-9-2-5-13(11(16)6-9)19-15(20)8-21-14-7-10(17)3-4-12(14)18/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide?
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide has a molecular weight of 324.81 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 79128006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).