2-(2-aminophenyl)sulfanyl-N-[4-(difluoromethoxy)phenyl]acetamide

C15H14F2N2O2S — CID 8554081

IUPAC2-(2-aminophenyl)sulfanyl-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESNc1ccccc1SCC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H14F2N2O2S/c16-15(17)21-11-7-5-10(6-8-11)19-14(20)9-22-13-4-2-1-3-12(13)18/h1-8,15H,9,18H2,(H,19,20)
InChIKeyHVSIGMXQMKUPMR-UHFFFAOYSA-N
MW324.35 g/mol
LogP3.60
Rot. Bonds6

About 2-(2-aminophenyl)sulfanyl-N-[4-(difluoromethoxy)phenyl]acetamide

2-(2-aminophenyl)sulfanyl-N-[4-(difluoromethoxy)phenyl]acetamide (PubChem CID 8554081) has the molecular formula C15H14F2N2O2S and a molecular weight of 324.35 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-[4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-[4-(difluoromethoxy)phenyl]acetamide
PubChem CID8554081
Molecular FormulaC15H14F2N2O2S
Molecular Weight324.35 g/mol
Exact Mass324.07
IUPAC Name2-(2-aminophenyl)sulfanyl-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESNc1ccccc1SCC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H14F2N2O2S/c16-15(17)21-11-7-5-10(6-8-11)19-14(20)9-22-13-4-2-1-3-12(13)18/h1-8,15H,9,18H2,(H,19,20)
InChIKeyHVSIGMXQMKUPMR-UHFFFAOYSA-N
XLogP3.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 2591517
2-(2-aminophenyl)sulfanyl-N-(4-hydroxyphenyl)acetamide
CID 3482565
N-[4-(difluoromethoxy)phenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42294890
N-[4-(difluoromethoxy)phenyl]-3,3-diphenylpropanamide
CID 7941321
N-[4-(difluoromethoxy)phenyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2613279
2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide
CID 3604206
4-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide
CID 16796890
N-[4-(difluoromethoxy)phenyl]-2-(2-hydroxyphenoxy)acetamide
CID 78770173
2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 7579800
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 40524641
N-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide
CID 134007817
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-[4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-[4-(difluoromethoxy)phenyl]acetamide (CID 8554081) is 2-(2-aminophenyl)sulfanyl-N-[4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-[4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-[4-(difluoromethoxy)phenyl]acetamide is Nc1ccccc1SCC(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-[4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is HVSIGMXQMKUPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2S/c16-15(17)21-11-7-5-10(6-8-11)19-14(20)9-22-13-4-2-1-3-12(13)18/h1-8,15H,9,18H2,(H,19,20).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-[4-(difluoromethoxy)phenyl]acetamide?
2-(2-aminophenyl)sulfanyl-N-[4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 324.35 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-[4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 8554081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).