N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide

C24H27N3O2S — CID 17482656

IUPACN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(CN(C(=O)CSc2ncc(-c3ccc(C)cc3)n2C)C2CC2)cc1
InChIInChI=1S/C24H27N3O2S/c1-17-4-8-19(9-5-17)22-14-25-24(26(22)2)30-16-23(28)27(20-10-11-20)15-18-6-12-21(29-3)13-7-18/h4-9,12-14,20H,10-11,15-16H2,1-3H3
InChIKeyYZEQZZBCJRFOEY-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.69
Rot. Bonds8

About N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 17482656) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID17482656
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(CN(C(=O)CSc2ncc(-c3ccc(C)cc3)n2C)C2CC2)cc1
InChIInChI=1S/C24H27N3O2S/c1-17-4-8-19(9-5-17)22-14-25-24(26(22)2)30-16-23(28)27(20-10-11-20)15-18-6-12-21(29-3)13-7-18/h4-9,12-14,20H,10-11,15-16H2,1-3H3
InChIKeyYZEQZZBCJRFOEY-UHFFFAOYSA-N
XLogP4.69
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 24623082
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 60607693
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 8807115
N-(3,5-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 18569187
2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 134052775
N-cyclopropyl-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 18202665
N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide
CID 47502733
N-cyclopropyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9298644
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 34588880
2-(4-acetamidophenyl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 51206705
N-cyclohexyl-N-ethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 55374229
N-cyclopropyl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 18144168

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide (CID 17482656) is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide is COc1ccc(CN(C(=O)CSc2ncc(-c3ccc(C)cc3)n2C)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is YZEQZZBCJRFOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-17-4-8-19(9-5-17)22-14-25-24(26(22)2)30-16-23(28)27(20-10-11-20)15-18-6-12-21(29-3)13-7-18/h4-9,12-14,20H,10-11,15-16H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide?
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 421.57 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 17482656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).