2-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide

C18H27FN2O2S — CID 134027094

IUPAC2-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
SMILESCC(C)CC(CNC(=O)CSc1ccccc1F)N1CCOCC1
InChIInChI=1S/C18H27FN2O2S/c1-14(2)11-15(21-7-9-23-10-8-21)12-20-18(22)13-24-17-6-4-3-5-16(17)19/h3-6,14-15H,7-13H2,1-2H3,(H,20,22)
InChIKeyPRWGHOLMVLYWEO-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.78
Rot. Bonds8

About 2-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide

2-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide (PubChem CID 134027094) has the molecular formula C18H27FN2O2S and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
PubChem CID134027094
Molecular FormulaC18H27FN2O2S
Molecular Weight354.49 g/mol
Exact Mass354.18
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
SMILESCC(C)CC(CNC(=O)CSc1ccccc1F)N1CCOCC1
InChIInChI=1S/C18H27FN2O2S/c1-14(2)11-15(21-7-9-23-10-8-21)12-20-18(22)13-24-17-6-4-3-5-16(17)19/h3-6,14-15H,7-13H2,1-2H3,(H,20,22)
InChIKeyPRWGHOLMVLYWEO-UHFFFAOYSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide (CID 134027094) is 2-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide is CC(C)CC(CNC(=O)CSc1ccccc1F)N1CCOCC1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide?
The InChIKey is PRWGHOLMVLYWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2S/c1-14(2)11-15(21-7-9-23-10-8-21)12-20-18(22)13-24-17-6-4-3-5-16(17)19/h3-6,14-15H,7-13H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide?
2-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide has a molecular weight of 354.49 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide is sourced from PubChem (CID 134027094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).