2-(3,4-difluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide

C18H26F2N2O2S — CID 134027156

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
SMILESCC(C)CC(CNC(=O)CSc1ccc(F)c(F)c1)N1CCOCC1
InChIInChI=1S/C18H26F2N2O2S/c1-13(2)9-14(22-5-7-24-8-6-22)11-21-18(23)12-25-15-3-4-16(19)17(20)10-15/h3-4,10,13-14H,5-9,11-12H2,1-2H3,(H,21,23)
InChIKeyICLIPKQQVWMXFW-UHFFFAOYSA-N
MW372.48 g/mol
LogP2.92
Rot. Bonds8

About 2-(3,4-difluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide

2-(3,4-difluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide (PubChem CID 134027156) has the molecular formula C18H26F2N2O2S and a molecular weight of 372.48 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
PubChem CID134027156
Molecular FormulaC18H26F2N2O2S
Molecular Weight372.48 g/mol
Exact Mass372.17
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
SMILESCC(C)CC(CNC(=O)CSc1ccc(F)c(F)c1)N1CCOCC1
InChIInChI=1S/C18H26F2N2O2S/c1-13(2)9-14(22-5-7-24-8-6-22)11-21-18(23)12-25-15-3-4-16(19)17(20)10-15/h3-4,10,13-14H,5-9,11-12H2,1-2H3,(H,21,23)
InChIKeyICLIPKQQVWMXFW-UHFFFAOYSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide (CID 134027156) is 2-(3,4-difluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide is CC(C)CC(CNC(=O)CSc1ccc(F)c(F)c1)N1CCOCC1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide?
The InChIKey is ICLIPKQQVWMXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O2S/c1-13(2)9-14(22-5-7-24-8-6-22)11-21-18(23)12-25-15-3-4-16(19)17(20)10-15/h3-4,10,13-14H,5-9,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide?
2-(3,4-difluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide has a molecular weight of 372.48 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide is sourced from PubChem (CID 134027156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).