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

C21H23F2N3O2S — CID 74610854

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide
SMILESO=C(CC1CC(=O)NC(SCc2ccc(F)cc2)N1)NCCc1ccc(F)cc1
InChIInChI=1S/C21H23F2N3O2S/c22-16-5-1-14(2-6-16)9-10-24-19(27)11-18-12-20(28)26-21(25-18)29-13-15-3-7-17(23)8-4-15/h1-8,18,21,25H,9-13H2,(H,24,27)(H,26,28)
InChIKeyRXTWYMPHJKWBRD-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.71
Rot. Bonds8

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

N-[2-(4-fluorophenyl)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide (PubChem CID 74610854) has the molecular formula C21H23F2N3O2S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide
PubChem CID74610854
Molecular FormulaC21H23F2N3O2S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide
SMILESO=C(CC1CC(=O)NC(SCc2ccc(F)cc2)N1)NCCc1ccc(F)cc1
InChIInChI=1S/C21H23F2N3O2S/c22-16-5-1-14(2-6-16)9-10-24-19(27)11-18-12-20(28)26-21(25-18)29-13-15-3-7-17(23)8-4-15/h1-8,18,21,25H,9-13H2,(H,24,27)(H,26,28)
InChIKeyRXTWYMPHJKWBRD-UHFFFAOYSA-N
XLogP2.71
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide (CID 74610854) is N-[2-(4-fluorophenyl)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide is O=C(CC1CC(=O)NC(SCc2ccc(F)cc2)N1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide?
The InChIKey is RXTWYMPHJKWBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O2S/c22-16-5-1-14(2-6-16)9-10-24-19(27)11-18-12-20(28)26-21(25-18)29-13-15-3-7-17(23)8-4-15/h1-8,18,21,25H,9-13H2,(H,24,27)(H,26,28).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide has a molecular weight of 419.50 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide is sourced from PubChem (CID 74610854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).