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

C21H24FN3O3S — CID 74610983

IUPAC2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CC2CC(=O)NC(SCc3ccccc3F)N2)c1
InChIInChI=1S/C21H24FN3O3S/c1-28-17-7-4-5-14(9-17)12-23-19(26)10-16-11-20(27)25-21(24-16)29-13-15-6-2-3-8-18(15)22/h2-9,16,21,24H,10-13H2,1H3,(H,23,26)(H,25,27)
InChIKeyYHRYPVQOSSYYLX-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.54
Rot. Bonds8

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

2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 74610983) has the molecular formula C21H24FN3O3S and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID74610983
Molecular FormulaC21H24FN3O3S
Molecular Weight417.51 g/mol
Exact Mass417.15
IUPAC Name2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CC2CC(=O)NC(SCc3ccccc3F)N2)c1
InChIInChI=1S/C21H24FN3O3S/c1-28-17-7-4-5-14(9-17)12-23-19(26)10-16-11-20(27)25-21(24-16)29-13-15-6-2-3-8-18(15)22/h2-9,16,21,24H,10-13H2,1H3,(H,23,26)(H,25,27)
InChIKeyYHRYPVQOSSYYLX-UHFFFAOYSA-N
XLogP2.54
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]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-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 85465573
N-[(3-methoxyphenyl)methyl]-2-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide
CID 85465566
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-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 85465577
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
2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-(3-methoxyphenyl)acetamide
CID 74527023
N-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylacetamide
CID 61028976
N-[(3-methoxyphenyl)methyl]-2-piperidin-3-ylacetamide
CID 62691062
3-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 5177299
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8789204

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide (CID 74610983) is 2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CC2CC(=O)NC(SCc3ccccc3F)N2)c1.
What is the InChIKey of 2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is YHRYPVQOSSYYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3S/c1-28-17-7-4-5-14(9-17)12-23-19(26)10-16-11-20(27)25-21(24-16)29-13-15-6-2-3-8-18(15)22/h2-9,16,21,24H,10-13H2,1H3,(H,23,26)(H,25,27).
What are the key properties of 2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 417.51 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 5 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-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 74610983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).