N-[2-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylethyl]-2-phenylsulfanylacetamide

C28H29N3OS2 — CID 4255231

IUPACN-[2-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylethyl]-2-phenylsulfanylacetamide
SMILESCC(C)n1c(SCCNC(=O)CSc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C28H29N3OS2/c1-21(2)31-27(23-14-8-4-9-15-23)26(22-12-6-3-7-13-22)30-28(31)33-19-18-29-25(32)20-34-24-16-10-5-11-17-24/h3-17,21H,18-20H2,1-2H3,(H,29,32)
InChIKeySRMZLAXSAGADOZ-UHFFFAOYSA-N
MW487.69 g/mol
LogP6.80
Rot. Bonds10

About N-[2-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylethyl]-2-phenylsulfanylacetamide

N-[2-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylethyl]-2-phenylsulfanylacetamide (PubChem CID 4255231) has the molecular formula C28H29N3OS2 and a molecular weight of 487.69 g/mol. Its IUPAC name is N-[2-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylethyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylethyl]-2-phenylsulfanylacetamide
PubChem CID4255231
Molecular FormulaC28H29N3OS2
Molecular Weight487.69 g/mol
Exact Mass487.18
IUPAC NameN-[2-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylethyl]-2-phenylsulfanylacetamide
SMILESCC(C)n1c(SCCNC(=O)CSc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C28H29N3OS2/c1-21(2)31-27(23-14-8-4-9-15-23)26(22-12-6-3-7-13-22)30-28(31)33-19-18-29-25(32)20-34-24-16-10-5-11-17-24/h3-17,21H,18-20H2,1-2H3,(H,29,32)
InChIKeySRMZLAXSAGADOZ-UHFFFAOYSA-N
XLogP6.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.69
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylpropyl]-2-phenoxyacetamide
CID 3889317
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 16562361
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide
CID 4238393
3-cyclopentyl-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]propanamide
CID 5037121
2-phenyl-N-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethyl]butanamide
CID 3378636
N-(3-aminobutyl)-2-phenylsulfanylacetamide
CID 63253683
2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 62000718
3-chloro-N-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]-2,2-dimethylpropanamide
CID 3556679
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylethyl)acetamide
CID 7627027
5-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pentan-1-one
CID 5237484
N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
CID 83029625
3,5-dimethoxy-N-[2-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]benzamide
CID 5034353

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylethyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[2-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylethyl]-2-phenylsulfanylacetamide (CID 4255231) is N-[2-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylethyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[2-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylethyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[2-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylethyl]-2-phenylsulfanylacetamide is CC(C)n1c(SCCNC(=O)CSc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-[2-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylethyl]-2-phenylsulfanylacetamide?
The InChIKey is SRMZLAXSAGADOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3OS2/c1-21(2)31-27(23-14-8-4-9-15-23)26(22-12-6-3-7-13-22)30-28(31)33-19-18-29-25(32)20-34-24-16-10-5-11-17-24/h3-17,21H,18-20H2,1-2H3,(H,29,32).
What are the key properties of N-[2-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylethyl]-2-phenylsulfanylacetamide?
N-[2-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylethyl]-2-phenylsulfanylacetamide has a molecular weight of 487.69 g/mol, XLogP of 6.80, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylethyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 4255231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).