2-[5-(4-fluorophenyl)-2,2-dimethylimidazol-4-yl]sulfanyl-N-(3-methoxyphenyl)acetamide

C20H20FN3O2S — CID 22428582

IUPAC2-[5-(4-fluorophenyl)-2,2-dimethylimidazol-4-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSC2=NC(C)(C)N=C2c2ccc(F)cc2)c1
InChIInChI=1S/C20H20FN3O2S/c1-20(2)23-18(13-7-9-14(21)10-8-13)19(24-20)27-12-17(25)22-15-5-4-6-16(11-15)26-3/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyCNOOQQCVUVHPDL-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.14
Rot. Bonds5

About 2-[5-(4-fluorophenyl)-2,2-dimethylimidazol-4-yl]sulfanyl-N-(3-methoxyphenyl)acetamide

2-[5-(4-fluorophenyl)-2,2-dimethylimidazol-4-yl]sulfanyl-N-(3-methoxyphenyl)acetamide (PubChem CID 22428582) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2,2-dimethylimidazol-4-yl]sulfanyl-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2,2-dimethylimidazol-4-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
PubChem CID22428582
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name2-[5-(4-fluorophenyl)-2,2-dimethylimidazol-4-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSC2=NC(C)(C)N=C2c2ccc(F)cc2)c1
InChIInChI=1S/C20H20FN3O2S/c1-20(2)23-18(13-7-9-14(21)10-8-13)19(24-20)27-12-17(25)22-15-5-4-6-16(11-15)26-3/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyCNOOQQCVUVHPDL-UHFFFAOYSA-N
XLogP4.14
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-2,2-dimethylimidazol-4-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-2,2-dimethylimidazol-4-yl]sulfanyl-N-(3-methoxyphenyl)acetamide (CID 22428582) is 2-[5-(4-fluorophenyl)-2,2-dimethylimidazol-4-yl]sulfanyl-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2,2-dimethylimidazol-4-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2,2-dimethylimidazol-4-yl]sulfanyl-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CSC2=NC(C)(C)N=C2c2ccc(F)cc2)c1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2,2-dimethylimidazol-4-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
The InChIKey is CNOOQQCVUVHPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-20(2)23-18(13-7-9-14(21)10-8-13)19(24-20)27-12-17(25)22-15-5-4-6-16(11-15)26-3/h4-11H,12H2,1-3H3,(H,22,25).
What are the key properties of 2-[5-(4-fluorophenyl)-2,2-dimethylimidazol-4-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
2-[5-(4-fluorophenyl)-2,2-dimethylimidazol-4-yl]sulfanyl-N-(3-methoxyphenyl)acetamide has a molecular weight of 385.46 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-2,2-dimethylimidazol-4-yl]sulfanyl-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 22428582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).