2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide

C17H16N4OS — CID 16592251

IUPAC2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide
SMILESNC(=O)C(Sc1nc(-c2ccccc2)cn1N)c1ccccc1
InChIInChI=1S/C17H16N4OS/c18-16(22)15(13-9-5-2-6-10-13)23-17-20-14(11-21(17)19)12-7-3-1-4-8-12/h1-11,15H,19H2,(H2,18,22)
InChIKeyGTZSWPUOSZOIPY-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.58
Rot. Bonds5

About 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide

2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide (PubChem CID 16592251) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide
PubChem CID16592251
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide
SMILESNC(=O)C(Sc1nc(-c2ccccc2)cn1N)c1ccccc1
InChIInChI=1S/C17H16N4OS/c18-16(22)15(13-9-5-2-6-10-13)23-17-20-14(11-21(17)19)12-7-3-1-4-8-12/h1-11,15H,19H2,(H2,18,22)
InChIKeyGTZSWPUOSZOIPY-UHFFFAOYSA-N
XLogP2.58
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 4828697
(2S)-2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-cyclohexylpropanamide
CID 7152368
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 86790555
(2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 94017809
2-(1-ethyl-5-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 18139283
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4819371
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetic acid
CID 60708323
2-phenyl-2-pyrimidin-2-ylsulfanylacetamide
CID 18136130
(2R)-2-methylsulfanyl-2-phenylacetamide
CID 101026307
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(3,5-difluorophenyl)acetamide
CID 47015745
2-[(2,2-dichlorocyclopropyl)methylsulfanyl]-4-phenylimidazol-1-amine
CID 16556344
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 43038015

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide?
The IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide (CID 16592251) is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide?
The canonical SMILES for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide is NC(=O)C(Sc1nc(-c2ccccc2)cn1N)c1ccccc1.
What is the InChIKey of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide?
The InChIKey is GTZSWPUOSZOIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c18-16(22)15(13-9-5-2-6-10-13)23-17-20-14(11-21(17)19)12-7-3-1-4-8-12/h1-11,15H,19H2,(H2,18,22).
What are the key properties of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide?
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide has a molecular weight of 324.41 g/mol, XLogP of 2.58, 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-2-phenylacetamide is sourced from PubChem (CID 16592251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).