2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide

C19H18ClN3O2S — CID 4296386

IUPAC2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSc1nccn1-c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3O2S/c1-2-25-17-9-4-3-8-16(17)22-18(24)13-26-19-21-10-11-23(19)15-7-5-6-14(20)12-15/h3-12H,2,13H2,1H3,(H,22,24)
InChIKeyLFZGPYLKRLYKQW-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.66
Rot. Bonds7

About 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide

2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide (PubChem CID 4296386) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide
PubChem CID4296386
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSc1nccn1-c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3O2S/c1-2-25-17-9-4-3-8-16(17)22-18(24)13-26-19-21-10-11-23(19)15-7-5-6-14(20)12-15/h3-12H,2,13H2,1H3,(H,22,24)
InChIKeyLFZGPYLKRLYKQW-UHFFFAOYSA-N
XLogP4.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide (CID 4296386) is 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CSc1nccn1-c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide?
The InChIKey is LFZGPYLKRLYKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-2-25-17-9-4-3-8-16(17)22-18(24)13-26-19-21-10-11-23(19)15-7-5-6-14(20)12-15/h3-12H,2,13H2,1H3,(H,22,24).
What are the key properties of 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide?
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide has a molecular weight of 387.89 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 4296386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).