2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide

C23H25FN4O2S — CID 25341436

IUPAC2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)CSc1nccn1-c1cccc(F)c1
InChIInChI=1S/C23H25FN4O2S/c1-26(16-18-5-7-20(8-6-18)27-11-13-30-14-12-27)22(29)17-31-23-25-9-10-28(23)21-4-2-3-19(24)15-21/h2-10,15H,11-14,16-17H2,1H3
InChIKeyVIOJCTWWSHJYSP-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.60
Rot. Bonds7

About 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide

2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide (PubChem CID 25341436) has the molecular formula C23H25FN4O2S and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
PubChem CID25341436
Molecular FormulaC23H25FN4O2S
Molecular Weight440.54 g/mol
Exact Mass440.17
IUPAC Name2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)CSc1nccn1-c1cccc(F)c1
InChIInChI=1S/C23H25FN4O2S/c1-26(16-18-5-7-20(8-6-18)27-11-13-30-14-12-27)22(29)17-31-23-25-9-10-28(23)21-4-2-3-19(24)15-21/h2-10,15H,11-14,16-17H2,1H3
InChIKeyVIOJCTWWSHJYSP-UHFFFAOYSA-N
XLogP3.60
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The IUPAC name of 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide (CID 25341436) is 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CSc1nccn1-c1cccc(F)c1.
What is the InChIKey of 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The InChIKey is VIOJCTWWSHJYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2S/c1-26(16-18-5-7-20(8-6-18)27-11-13-30-14-12-27)22(29)17-31-23-25-9-10-28(23)21-4-2-3-19(24)15-21/h2-10,15H,11-14,16-17H2,1H3.
What are the key properties of 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide has a molecular weight of 440.54 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide is sourced from PubChem (CID 25341436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).