2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(3,5-difluorophenyl)acetamide

C17H14F2N4OS — CID 47015745

IUPAC2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(3,5-difluorophenyl)acetamide
SMILESNn1cc(-c2ccccc2)nc1SCC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C17H14F2N4OS/c18-12-6-13(19)8-14(7-12)21-16(24)10-25-17-22-15(9-23(17)20)11-4-2-1-3-5-11/h1-9H,10,20H2,(H,21,24)
InChIKeyICEYJIHSNVHQME-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.27
Rot. Bonds5

About 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(3,5-difluorophenyl)acetamide

2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(3,5-difluorophenyl)acetamide (PubChem CID 47015745) has the molecular formula C17H14F2N4OS and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(3,5-difluorophenyl)acetamide
PubChem CID47015745
Molecular FormulaC17H14F2N4OS
Molecular Weight360.39 g/mol
Exact Mass360.09
IUPAC Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(3,5-difluorophenyl)acetamide
SMILESNn1cc(-c2ccccc2)nc1SCC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C17H14F2N4OS/c18-12-6-13(19)8-14(7-12)21-16(24)10-25-17-22-15(9-23(17)20)11-4-2-1-3-5-11/h1-9H,10,20H2,(H,21,24)
InChIKeyICEYJIHSNVHQME-UHFFFAOYSA-N
XLogP3.27
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 42982369
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 4828697
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(4-methyl-2-nitrophenyl)acetamide
CID 4840660
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-benzylpiperidin-4-yl)acetamide
CID 16610716
methyl 2-[[2-(1-amino-4-phenylimidazol-2-yl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7152360
2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-difluorophenyl)acetamide
CID 42029070
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
CID 7225455
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 4779906
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 40709981
2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 4088320
2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
CID 4121667
2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 7398151

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(3,5-difluorophenyl)acetamide?
The IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(3,5-difluorophenyl)acetamide (CID 47015745) is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(3,5-difluorophenyl)acetamide?
The canonical SMILES for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(3,5-difluorophenyl)acetamide is Nn1cc(-c2ccccc2)nc1SCC(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(3,5-difluorophenyl)acetamide?
The InChIKey is ICEYJIHSNVHQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4OS/c18-12-6-13(19)8-14(7-12)21-16(24)10-25-17-22-15(9-23(17)20)11-4-2-1-3-5-11/h1-9H,10,20H2,(H,21,24).
What are the key properties of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(3,5-difluorophenyl)acetamide?
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(3,5-difluorophenyl)acetamide has a molecular weight of 360.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 47015745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).