N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide

C14H12F2N2OS — CID 43345463

IUPACN-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
SMILESNc1ccccc1NC(=O)CSc1ccc(F)cc1F
InChIInChI=1S/C14H12F2N2OS/c15-9-5-6-13(10(16)7-9)20-8-14(19)18-12-4-2-1-3-11(12)17/h1-7H,8,17H2,(H,18,19)
InChIKeyCSOANYBTRVTHRB-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.28
Rot. Bonds4

About N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide

N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide (PubChem CID 43345463) has the molecular formula C14H12F2N2OS and a molecular weight of 294.33 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
PubChem CID43345463
Molecular FormulaC14H12F2N2OS
Molecular Weight294.33 g/mol
Exact Mass294.06
IUPAC NameN-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
SMILESNc1ccccc1NC(=O)CSc1ccc(F)cc1F
InChIInChI=1S/C14H12F2N2OS/c15-9-5-6-13(10(16)7-9)20-8-14(19)18-12-4-2-1-3-11(12)17/h1-7H,8,17H2,(H,18,19)
InChIKeyCSOANYBTRVTHRB-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.28
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-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 43249156
N-(3-acetamido-2-methylphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 24673641
N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 43519004
N-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide
CID 9046628
N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 29278790
3-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid
CID 43171763
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 79127543
N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922404
2-(2,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 27640834
N-[2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 2591520
2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
CID 60661743
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 43304145

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide?
The IUPAC name of N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide (CID 43345463) is N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide is Nc1ccccc1NC(=O)CSc1ccc(F)cc1F.
What is the InChIKey of N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide?
The InChIKey is CSOANYBTRVTHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2OS/c15-9-5-6-13(10(16)7-9)20-8-14(19)18-12-4-2-1-3-11(12)17/h1-7H,8,17H2,(H,18,19).
What are the key properties of N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide?
N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide has a molecular weight of 294.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide is sourced from PubChem (CID 43345463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).