N-[3-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylpropyl]-2-phenoxyacetamide

C29H31N3O2S — CID 3889317

IUPACN-[3-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylpropyl]-2-phenoxyacetamide
SMILESCC(C)n1c(SCCCNC(=O)COc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C29H31N3O2S/c1-22(2)32-28(24-15-8-4-9-16-24)27(23-13-6-3-7-14-23)31-29(32)35-20-12-19-30-26(33)21-34-25-17-10-5-11-18-25/h3-11,13-18,22H,12,19-21H2,1-2H3,(H,30,33)
InChIKeyMGJREMGCLFOBAB-UHFFFAOYSA-N
MW485.65 g/mol
LogP6.48
Rot. Bonds11

About N-[3-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylpropyl]-2-phenoxyacetamide

N-[3-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylpropyl]-2-phenoxyacetamide (PubChem CID 3889317) has the molecular formula C29H31N3O2S and a molecular weight of 485.65 g/mol. Its IUPAC name is N-[3-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylpropyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylpropyl]-2-phenoxyacetamide
PubChem CID3889317
Molecular FormulaC29H31N3O2S
Molecular Weight485.65 g/mol
Exact Mass485.21
IUPAC NameN-[3-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylpropyl]-2-phenoxyacetamide
SMILESCC(C)n1c(SCCCNC(=O)COc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C29H31N3O2S/c1-22(2)32-28(24-15-8-4-9-16-24)27(23-13-6-3-7-14-23)31-29(32)35-20-12-19-30-26(33)21-34-25-17-10-5-11-18-25/h3-11,13-18,22H,12,19-21H2,1-2H3,(H,30,33)
InChIKeyMGJREMGCLFOBAB-UHFFFAOYSA-N
XLogP6.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.65
LogP ≤ 56.48
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-[2-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylethyl]-2-phenylsulfanylacetamide
CID 4255231
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide
CID 4238393
2-(4-methoxyphenoxy)-N-(3-phenylsulfanylpropyl)acetamide
CID 27828609
N-[2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanylethyl]-2-(4-chlorophenoxy)acetamide
CID 42725822
2-(4-acetylphenoxy)-N-(3-phenylsulfanylpropyl)acetamide
CID 26352192
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-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
N-(4-acetamidobutyl)-2-phenoxyacetamide
CID 110358551
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-phenylprop-2-enamide
CID 4683494
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-2-ethylhexanamide
CID 3880800
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 26635741
methyl 2-[3-[2-[1-(1-ethoxyethyl)-4,5-diphenylimidazol-2-yl]ethyl]phenoxy]acetate
CID 10435449

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylpropyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylpropyl]-2-phenoxyacetamide (CID 3889317) is N-[3-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylpropyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylpropyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylpropyl]-2-phenoxyacetamide is CC(C)n1c(SCCCNC(=O)COc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-[3-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylpropyl]-2-phenoxyacetamide?
The InChIKey is MGJREMGCLFOBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2S/c1-22(2)32-28(24-15-8-4-9-16-24)27(23-13-6-3-7-14-23)31-29(32)35-20-12-19-30-26(33)21-34-25-17-10-5-11-18-25/h3-11,13-18,22H,12,19-21H2,1-2H3,(H,30,33).
What are the key properties of N-[3-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylpropyl]-2-phenoxyacetamide?
N-[3-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylpropyl]-2-phenoxyacetamide has a molecular weight of 485.65 g/mol, XLogP of 6.48, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylpropyl]-2-phenoxyacetamide is sourced from PubChem (CID 3889317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).