N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide

C19H17F2N3OS2 — CID 46691418

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
SMILESCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C19H17F2N3OS2/c1-24-15(13-7-3-2-4-8-13)11-22-19(24)26-12-17(25)23-14-9-5-6-10-16(14)27-18(20)21/h2-11,18H,12H2,1H3,(H,23,25)
InChIKeyNHTZEIAQXAVHCD-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.13
Rot. Bonds7

About N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide

N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide (PubChem CID 46691418) has the molecular formula C19H17F2N3OS2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
PubChem CID46691418
Molecular FormulaC19H17F2N3OS2
Molecular Weight405.50 g/mol
Exact Mass405.08
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
SMILESCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C19H17F2N3OS2/c1-24-15(13-7-3-2-4-8-13)11-22-19(24)26-12-17(25)23-14-9-5-6-10-16(14)27-18(20)21/h2-11,18H,12H2,1H3,(H,23,25)
InChIKeyNHTZEIAQXAVHCD-UHFFFAOYSA-N
XLogP5.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide (CID 46691418) is N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide is Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccc1SC(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide?
The InChIKey is NHTZEIAQXAVHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3OS2/c1-24-15(13-7-3-2-4-8-13)11-22-19(24)26-12-17(25)23-14-9-5-6-10-16(14)27-18(20)21/h2-11,18H,12H2,1H3,(H,23,25).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide has a molecular weight of 405.50 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 46691418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).