N-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide

C26H25N3OS — CID 134027552

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(NCCc1nccn1Cc1ccccc1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C26H25N3OS/c30-26(25(22-12-6-2-7-13-22)31-23-14-8-3-9-15-23)28-17-16-24-27-18-19-29(24)20-21-10-4-1-5-11-21/h1-15,18-19,25H,16-17,20H2,(H,28,30)
InChIKeyZERJLDSTUDPSBC-UHFFFAOYSA-N
MW427.57 g/mol
LogP5.12
Rot. Bonds9

About N-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide

N-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 134027552) has the molecular formula C26H25N3OS and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide
PubChem CID134027552
Molecular FormulaC26H25N3OS
Molecular Weight427.57 g/mol
Exact Mass427.17
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(NCCc1nccn1Cc1ccccc1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C26H25N3OS/c30-26(25(22-12-6-2-7-13-22)31-23-14-8-3-9-15-23)28-17-16-24-27-18-19-29(24)20-21-10-4-1-5-11-21/h1-15,18-19,25H,16-17,20H2,(H,28,30)
InChIKeyZERJLDSTUDPSBC-UHFFFAOYSA-N
XLogP5.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 134027611
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 134039843
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-methylphenoxy)propanamide
CID 134039599
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 134039558
N-[2-(1-benzylimidazol-2-yl)ethyl]furan-2-carboxamide
CID 134039640
N-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 134039836
(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 134039644
(2S)-2-phenyl-2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)acetamide
CID 40798749
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide
CID 134027428
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 4043890

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide (CID 134027552) is N-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide is O=C(NCCc1nccn1Cc1ccccc1)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is ZERJLDSTUDPSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3OS/c30-26(25(22-12-6-2-7-13-22)31-23-14-8-3-9-15-23)28-17-16-24-27-18-19-29(24)20-21-10-4-1-5-11-21/h1-15,18-19,25H,16-17,20H2,(H,28,30).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide?
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 427.57 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 134027552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).