2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methylbutyl)acetamide

C18H26FN3O2S — CID 74610967

IUPAC2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CC1CC(=O)NC(SCc2ccccc2F)N1
InChIInChI=1S/C18H26FN3O2S/c1-12(2)7-8-20-16(23)9-14-10-17(24)22-18(21-14)25-11-13-5-3-4-6-15(13)19/h3-6,12,14,18,21H,7-11H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyFQYXWXYTBWCENK-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.37
Rot. Bonds8

About 2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methylbutyl)acetamide

2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methylbutyl)acetamide (PubChem CID 74610967) has the molecular formula C18H26FN3O2S and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methylbutyl)acetamide
PubChem CID74610967
Molecular FormulaC18H26FN3O2S
Molecular Weight367.49 g/mol
Exact Mass367.17
IUPAC Name2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CC1CC(=O)NC(SCc2ccccc2F)N1
InChIInChI=1S/C18H26FN3O2S/c1-12(2)7-8-20-16(23)9-14-10-17(24)22-18(21-14)25-11-13-5-3-4-6-15(13)19/h3-6,12,14,18,21H,7-11H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyFQYXWXYTBWCENK-UHFFFAOYSA-N
XLogP2.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methylbutyl)acetamide (CID 74610967) is 2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CC1CC(=O)NC(SCc2ccccc2F)N1.
What is the InChIKey of 2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is FQYXWXYTBWCENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2S/c1-12(2)7-8-20-16(23)9-14-10-17(24)22-18(21-14)25-11-13-5-3-4-6-15(13)19/h3-6,12,14,18,21H,7-11H2,1-2H3,(H,20,23)(H,22,24).
What are the key properties of 2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methylbutyl)acetamide?
2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 367.49 g/mol, XLogP of 2.37, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 74610967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).