2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide

C14H11ClF2N2OS — CID 43305241

IUPAC2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C14H11ClF2N2OS/c15-9-6-8(18)4-5-12(9)21-7-13(20)19-14-10(16)2-1-3-11(14)17/h1-6H,7,18H2,(H,19,20)
InChIKeyGBJUVHZYEJKQAZ-UHFFFAOYSA-N
MW328.77 g/mol
LogP3.93
Rot. Bonds4

About 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide

2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide (PubChem CID 43305241) has the molecular formula C14H11ClF2N2OS and a molecular weight of 328.77 g/mol. Its IUPAC name is 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
PubChem CID43305241
Molecular FormulaC14H11ClF2N2OS
Molecular Weight328.77 g/mol
Exact Mass328.02
IUPAC Name2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C14H11ClF2N2OS/c15-9-6-8(18)4-5-12(9)21-7-13(20)19-14-10(16)2-1-3-11(14)17/h1-6H,7,18H2,(H,19,20)
InChIKeyGBJUVHZYEJKQAZ-UHFFFAOYSA-N
XLogP3.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 53.93
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-(4-amino-2-fluorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 43303659
2-(4-amino-2-bromophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 82838734
2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 2536490
2-(4-amino-2-chlorophenyl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 43305569
2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 43251034
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 43305339
2-(4-amino-2-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 43303534
N'-acetyl-2-(4-amino-2-chlorophenyl)sulfanylacetohydrazide
CID 43305113
2-(4-amino-2-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 43305259
N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616259
2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 79128069
2-(4-amino-2-chlorophenyl)sulfanyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 43305123

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide (CID 43305241) is 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide is Nc1ccc(SCC(=O)Nc2c(F)cccc2F)c(Cl)c1.
What is the InChIKey of 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide?
The InChIKey is GBJUVHZYEJKQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2OS/c15-9-6-8(18)4-5-12(9)21-7-13(20)19-14-10(16)2-1-3-11(14)17/h1-6H,7,18H2,(H,19,20).
What are the key properties of 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide?
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide has a molecular weight of 328.77 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 43305241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).