N-[2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenoxyacetamide

C19H18ClN3O2S — CID 18575488

IUPACN-[2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCSc1ncc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C19H18ClN3O2S/c20-15-8-6-14(7-9-15)17-12-22-19(23-17)26-11-10-21-18(24)13-25-16-4-2-1-3-5-16/h1-9,12H,10-11,13H2,(H,21,24)(H,22,23)
InChIKeyPVHHANUCUXMTCW-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.02
Rot. Bonds8

About N-[2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenoxyacetamide

N-[2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenoxyacetamide (PubChem CID 18575488) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-[2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenoxyacetamide
PubChem CID18575488
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC NameN-[2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCSc1ncc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C19H18ClN3O2S/c20-15-8-6-14(7-9-15)17-12-22-19(23-17)26-11-10-21-18(24)13-25-16-4-2-1-3-5-16/h1-9,12H,10-11,13H2,(H,21,24)(H,22,23)
InChIKeyPVHHANUCUXMTCW-UHFFFAOYSA-N
XLogP4.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16896830
N-(4-chlorophenyl)-2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 1118769
N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide
CID 3117798
N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-3-phenylprop-2-enamide
CID 71962590
N-[2-[[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-naphthalen-2-yloxyacetamide
CID 4610166
N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-carboxamide
CID 18575464
N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide
CID 2156420
4-butoxy-N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
CID 18575399
N'-(2,4-difluorophenyl)-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethyl]oxamide
CID 18575497
ethyl 2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]acetate
CID 1080939
2-(4-acetylphenoxy)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
CID 26374064
N-(2,6-dichlorophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 40604658

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenoxyacetamide (CID 18575488) is N-[2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCSc1ncc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of N-[2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenoxyacetamide?
The InChIKey is PVHHANUCUXMTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c20-15-8-6-14(7-9-15)17-12-22-19(23-17)26-11-10-21-18(24)13-25-16-4-2-1-3-5-16/h1-9,12H,10-11,13H2,(H,21,24)(H,22,23).
What are the key properties of N-[2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenoxyacetamide?
N-[2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenoxyacetamide has a molecular weight of 387.89 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 18575488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).