2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide

C15H20FN3O2S — CID 78497102

IUPAC2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCC1CC(=O)NC(SCC(=O)NCc2ccc(F)cc2)N1
InChIInChI=1S/C15H20FN3O2S/c1-2-12-7-13(20)19-15(18-12)22-9-14(21)17-8-10-3-5-11(16)6-4-10/h3-6,12,15,18H,2,7-9H2,1H3,(H,17,21)(H,19,20)
InChIKeyUIHZZKIUMMTFDK-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.35
Rot. Bonds6

About 2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide

2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 78497102) has the molecular formula C15H20FN3O2S and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID78497102
Molecular FormulaC15H20FN3O2S
Molecular Weight325.41 g/mol
Exact Mass325.13
IUPAC Name2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCC1CC(=O)NC(SCC(=O)NCc2ccc(F)cc2)N1
InChIInChI=1S/C15H20FN3O2S/c1-2-12-7-13(20)19-15(18-12)22-9-14(21)17-8-10-3-5-11(16)6-4-10/h3-6,12,15,18H,2,7-9H2,1H3,(H,17,21)(H,19,20)
InChIKeyUIHZZKIUMMTFDK-UHFFFAOYSA-N
XLogP1.35
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide
CID 78365672
N-[(4-fluorophenyl)methyl]-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
CID 75192369
N-[(2-chlorophenyl)methyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide
CID 74527018
N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626456
2-[[1-(4-chlorophenyl)-4-oxo-3,3a,5,6,7,7a-hexahydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 74535170
2-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 85465528
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-fluorophenyl)methyl]oxamide
CID 73339871
2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 74610983
2-[2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 85465531
2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 64616743
N-[(3-methoxyphenyl)methyl]-2-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide
CID 85465566

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide (CID 78497102) is 2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide is CCC1CC(=O)NC(SCC(=O)NCc2ccc(F)cc2)N1.
What is the InChIKey of 2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is UIHZZKIUMMTFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2S/c1-2-12-7-13(20)19-15(18-12)22-9-14(21)17-8-10-3-5-11(16)6-4-10/h3-6,12,15,18H,2,7-9H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 325.41 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 78497102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).