N-[(4-fluorophenyl)methyl]-N-methyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide

C20H20FN3OS — CID 46815747

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CSc1ncc(-c2ccccc2)n1C
InChIInChI=1S/C20H20FN3OS/c1-23(13-15-8-10-17(21)11-9-15)19(25)14-26-20-22-12-18(24(20)2)16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3
InChIKeyLXEPTACDRDLELU-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.98
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N-methyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide

N-[(4-fluorophenyl)methyl]-N-methyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide (PubChem CID 46815747) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
PubChem CID46815747
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CSc1ncc(-c2ccccc2)n1C
InChIInChI=1S/C20H20FN3OS/c1-23(13-15-8-10-17(21)11-9-15)19(25)14-26-20-22-12-18(24(20)2)16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3
InChIKeyLXEPTACDRDLELU-UHFFFAOYSA-N
XLogP3.98
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7895645
N-[(4-fluorophenyl)methyl]-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 16541521
N-[(4-fluorophenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51075029
N-cyclohexyl-N-ethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 55374229
N-[(4-fluorophenyl)methyl]-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 112781856
N-[(4-fluorophenyl)methyl]-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 78760670
N-benzyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 2531105
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 84602700
2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 16518564
4-[[[2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]methyl]-N-methylbenzamide
CID 46436447
2-[[5-benzyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 16513944
N-[(4-fluorophenyl)methyl]-N-methyl-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16536338

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide (CID 46815747) is N-[(4-fluorophenyl)methyl]-N-methyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide is CN(Cc1ccc(F)cc1)C(=O)CSc1ncc(-c2ccccc2)n1C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide?
The InChIKey is LXEPTACDRDLELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-23(13-15-8-10-17(21)11-9-15)19(25)14-26-20-22-12-18(24(20)2)16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide?
N-[(4-fluorophenyl)methyl]-N-methyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide has a molecular weight of 369.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 46815747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).