2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide

C22H19N3O2S — CID 4133639

IUPAC2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C22H19N3O2S/c1-27-18-9-5-8-17(14-18)25-13-12-23-22(25)28-15-21(26)24-20-11-4-7-16-6-2-3-10-19(16)20/h2-14H,15H2,1H3,(H,24,26)
InChIKeyJMPIOVKELVNYSN-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.76
Rot. Bonds6

About 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide

2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide (PubChem CID 4133639) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
PubChem CID4133639
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C22H19N3O2S/c1-27-18-9-5-8-17(14-18)25-13-12-23-22(25)28-15-21(26)24-20-11-4-7-16-6-2-3-10-19(16)20/h2-14H,15H2,1H3,(H,24,26)
InChIKeyJMPIOVKELVNYSN-UHFFFAOYSA-N
XLogP4.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide (CID 4133639) is 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide is COc1cccc(-n2ccnc2SCC(=O)Nc2cccc3ccccc23)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide?
The InChIKey is JMPIOVKELVNYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-27-18-9-5-8-17(14-18)25-13-12-23-22(25)28-15-21(26)24-20-11-4-7-16-6-2-3-10-19(16)20/h2-14H,15H2,1H3,(H,24,26).
What are the key properties of 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide?
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide has a molecular weight of 389.48 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 4133639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).