N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide

C21H23N3O3S — CID 40665339

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(CNC(=O)CSc2nccn2-c2cccc(C)c2)cc1OC
InChIInChI=1S/C21H23N3O3S/c1-15-5-4-6-17(11-15)24-10-9-22-21(24)28-14-20(25)23-13-16-7-8-18(26-2)19(12-16)27-3/h4-12H,13-14H2,1-3H3,(H,23,25)
InChIKeyDWEYMPJWQKDNAF-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.61
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 40665339) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID40665339
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(CNC(=O)CSc2nccn2-c2cccc(C)c2)cc1OC
InChIInChI=1S/C21H23N3O3S/c1-15-5-4-6-17(11-15)24-10-9-22-21(24)28-14-20(25)23-13-16-7-8-18(26-2)19(12-16)27-3/h4-12H,13-14H2,1-3H3,(H,23,25)
InChIKeyDWEYMPJWQKDNAF-UHFFFAOYSA-N
XLogP3.61
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 41472985
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40685064
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9263793
2-(3,4-dimethoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]acetamide
CID 28577640
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 40669999
N-[2-(4-ethoxyphenoxy)ethyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40670318
2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 40665507
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 9200898
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 18161956
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 92680069
N-(2,3-dimethylphenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 3253704
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996749

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide (CID 40665339) is N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide is COc1ccc(CNC(=O)CSc2nccn2-c2cccc(C)c2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is DWEYMPJWQKDNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-15-5-4-6-17(11-15)24-10-9-22-21(24)28-14-20(25)23-13-16-7-8-18(26-2)19(12-16)27-3/h4-12H,13-14H2,1-3H3,(H,23,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 397.50 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 40665339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).