N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide

C23H25N3O2S — CID 15990536

IUPACN-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide
SMILESCOc1cccc(-c2nc(SCC(=O)NC3CCCC3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C23H25N3O2S/c1-28-19-13-7-10-17(14-19)22-25-21(16-8-3-2-4-9-16)23(26-22)29-15-20(27)24-18-11-5-6-12-18/h2-4,7-10,13-14,18H,5-6,11-12,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyHSHDSMLHMZTFQZ-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.90
Rot. Bonds7

About N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide

N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide (PubChem CID 15990536) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide
PubChem CID15990536
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide
SMILESCOc1cccc(-c2nc(SCC(=O)NC3CCCC3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C23H25N3O2S/c1-28-19-13-7-10-17(14-19)22-25-21(16-8-3-2-4-9-16)23(26-22)29-15-20(27)24-18-11-5-6-12-18/h2-4,7-10,13-14,18H,5-6,11-12,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyHSHDSMLHMZTFQZ-UHFFFAOYSA-N
XLogP4.90
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclopentyl-2-{[2-(3-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-4-YL]sulfanyl}acetamide
CID 15990540
[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-heptyl-carbamic acid phenyl ester
CID 9985162
1-{5-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-pentyl}-1-heptyl-3-isopropyl-urea
CID 10415847
N-[(3-methoxyphenyl)methyl]-2-[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide
CID 2553721
N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide
CID 5308483
N-Cyclopentyl-2-{[5-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-YL]sulfanyl}acetamide
CID 15945448
N-Cyclopentyl-2-{[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-YL]sulfanyl}acetamide
CID 15945477
N-Cyclopentyl-2-{[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-YL]sulfanyl}acetamide
CID 15945479
N-cyclopentyl-2-{[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]thio}acetamide
CID 15945556
2-((5-(4-chlorophenyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 15990533
N-Cyclopentyl-2-{[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-4-YL]sulfanyl}acetamide
CID 15990559
2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 6359367

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide (CID 15990536) is N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide is COc1cccc(-c2nc(SCC(=O)NC3CCCC3)c(-c3ccccc3)[nH]2)c1.
What is the InChIKey of N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide?
The InChIKey is HSHDSMLHMZTFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-28-19-13-7-10-17(14-19)22-25-21(16-8-3-2-4-9-16)23(26-22)29-15-20(27)24-18-11-5-6-12-18/h2-4,7-10,13-14,18H,5-6,11-12,15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide?
N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide has a molecular weight of 407.54 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-(3-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 15990536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).