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

C20H22FN3O3S — CID 74527023

IUPAC2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CC2CC(=O)NC(SCc3ccc(F)cc3)N2)c1
InChIInChI=1S/C20H22FN3O3S/c1-27-17-4-2-3-15(9-17)22-18(25)10-16-11-19(26)24-20(23-16)28-12-13-5-7-14(21)8-6-13/h2-9,16,20,23H,10-12H2,1H3,(H,22,25)(H,24,26)
InChIKeyUHYGTWWURZPTOG-UHFFFAOYSA-N
MW403.48 g/mol
LogP2.86
Rot. Bonds7

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

2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 74527023) has the molecular formula C20H22FN3O3S and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID74527023
Molecular FormulaC20H22FN3O3S
Molecular Weight403.48 g/mol
Exact Mass403.14
IUPAC Name2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CC2CC(=O)NC(SCc3ccc(F)cc3)N2)c1
InChIInChI=1S/C20H22FN3O3S/c1-27-17-4-2-3-15(9-17)22-18(25)10-16-11-19(26)24-20(23-16)28-12-13-5-7-14(21)8-6-13/h2-9,16,20,23H,10-12H2,1H3,(H,22,25)(H,24,26)
InChIKeyUHYGTWWURZPTOG-UHFFFAOYSA-N
XLogP2.86
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-prop-2-enylacetamide
CID 85465370
N-cyclopentyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide
CID 74610883
N-(3-acetamidophenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide
CID 74610986
N-[(3-methoxyphenyl)methyl]-2-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide
CID 85465566
2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 74610983
2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 85465573
2-[2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 85465577
N-[(3-methoxyphenyl)methyl]-2-[6-oxo-2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanyl-1,3-diazinan-4-yl]acetamide
CID 74912583
2-[2-[(4-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 136616300
2-(2,5-dioxoimidazolidin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 47150004
2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 78497102
N-(3-methoxyphenyl)-2-(oxan-2-yl)acetamide
CID 110422002

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methoxyphenyl)acetamide (CID 74527023) is 2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CC2CC(=O)NC(SCc3ccc(F)cc3)N2)c1.
What is the InChIKey of 2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is UHYGTWWURZPTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3S/c1-27-17-4-2-3-15(9-17)22-18(25)10-16-11-19(26)24-20(23-16)28-12-13-5-7-14(21)8-6-13/h2-9,16,20,23H,10-12H2,1H3,(H,22,25)(H,24,26).
What are the key properties of 2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methoxyphenyl)acetamide?
2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 403.48 g/mol, XLogP of 2.86, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 74527023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).