N-[(4-fluorophenyl)methyl]-N-methyl-2-[methyl-(1-oxothian-4-yl)amino]acetamide

C16H23FN2O2S — CID 75361756

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2-[methyl-(1-oxothian-4-yl)amino]acetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CN(C)C1CCS(=O)CC1
InChIInChI=1S/C16H23FN2O2S/c1-18(15-7-9-22(21)10-8-15)12-16(20)19(2)11-13-3-5-14(17)6-4-13/h3-6,15H,7-12H2,1-2H3
InChIKeyODVYANZGJHWSAK-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.63
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-methyl-2-[methyl-(1-oxothian-4-yl)amino]acetamide

N-[(4-fluorophenyl)methyl]-N-methyl-2-[methyl-(1-oxothian-4-yl)amino]acetamide (PubChem CID 75361756) has the molecular formula C16H23FN2O2S and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2-[methyl-(1-oxothian-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2-[methyl-(1-oxothian-4-yl)amino]acetamide
PubChem CID75361756
Molecular FormulaC16H23FN2O2S
Molecular Weight326.44 g/mol
Exact Mass326.15
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2-[methyl-(1-oxothian-4-yl)amino]acetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CN(C)C1CCS(=O)CC1
InChIInChI=1S/C16H23FN2O2S/c1-18(15-7-9-22(21)10-8-15)12-16(20)19(2)11-13-3-5-14(17)6-4-13/h3-6,15H,7-12H2,1-2H3
InChIKeyODVYANZGJHWSAK-UHFFFAOYSA-N
XLogP1.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluorophenyl)methyl]-N-methyl-2-[methyl-(1-oxothian-4-yl)amino]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-[(4-fluorophenyl)methyl]-N-methyl-2-[methyl-(1-oxothian-4-yl)amino]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-[methyl-(1-oxothian-4-yl)amino]acetamide (CID 75361756) is N-[(4-fluorophenyl)methyl]-N-methyl-2-[methyl-(1-oxothian-4-yl)amino]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2-[methyl-(1-oxothian-4-yl)amino]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2-[methyl-(1-oxothian-4-yl)amino]acetamide is CN(Cc1ccc(F)cc1)C(=O)CN(C)C1CCS(=O)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2-[methyl-(1-oxothian-4-yl)amino]acetamide?
The InChIKey is ODVYANZGJHWSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2S/c1-18(15-7-9-22(21)10-8-15)12-16(20)19(2)11-13-3-5-14(17)6-4-13/h3-6,15H,7-12H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2-[methyl-(1-oxothian-4-yl)amino]acetamide?
N-[(4-fluorophenyl)methyl]-N-methyl-2-[methyl-(1-oxothian-4-yl)amino]acetamide has a molecular weight of 326.44 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-2-[methyl-(1-oxothian-4-yl)amino]acetamide is sourced from PubChem (CID 75361756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).