2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide

C19H21N3O2S3 — CID 8002476

IUPAC2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
SMILESCOc1ccc(-n2ccnc2SCC(=O)NCCSCc2cccs2)cc1
InChIInChI=1S/C19H21N3O2S3/c1-24-16-6-4-15(5-7-16)22-10-8-21-19(22)27-14-18(23)20-9-12-25-13-17-3-2-11-26-17/h2-8,10-11H,9,12-14H2,1H3,(H,20,23)
InChIKeyGVSCDKKGRTWFGB-UHFFFAOYSA-N
MW419.60 g/mol
LogP4.08
Rot. Bonds10

About 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide

2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide (PubChem CID 8002476) has the molecular formula C19H21N3O2S3 and a molecular weight of 419.60 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
PubChem CID8002476
Molecular FormulaC19H21N3O2S3
Molecular Weight419.60 g/mol
Exact Mass419.08
IUPAC Name2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
SMILESCOc1ccc(-n2ccnc2SCC(=O)NCCSCc2cccs2)cc1
InChIInChI=1S/C19H21N3O2S3/c1-24-16-6-4-15(5-7-16)22-10-8-21-19(22)27-14-18(23)20-9-12-25-13-17-3-2-11-26-17/h2-8,10-11H,9,12-14H2,1H3,(H,20,23)
InChIKeyGVSCDKKGRTWFGB-UHFFFAOYSA-N
XLogP4.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.60
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide 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

2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 24578282
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 18161950
N-[2-(2-methoxyphenyl)ethyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 40661407
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46826238
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 27959873
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 3636346
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4120310
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 28574230
N-(4-bromophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 4119542
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 18163998
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 40518450
2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 7582665

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide (CID 8002476) is 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide is COc1ccc(-n2ccnc2SCC(=O)NCCSCc2cccs2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide?
The InChIKey is GVSCDKKGRTWFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S3/c1-24-16-6-4-15(5-7-16)22-10-8-21-19(22)27-14-18(23)20-9-12-25-13-17-3-2-11-26-17/h2-8,10-11H,9,12-14H2,1H3,(H,20,23).
What are the key properties of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide?
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide has a molecular weight of 419.60 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 8002476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).