3-acetamido-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide

C14H17FN2O2S — CID 75413408

IUPAC3-acetamido-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide
SMILESCC(=O)NCCC(=O)NC1CCSc2c(F)cccc21
InChIInChI=1S/C14H17FN2O2S/c1-9(18)16-7-5-13(19)17-12-6-8-20-14-10(12)3-2-4-11(14)15/h2-4,12H,5-8H2,1H3,(H,16,18)(H,17,19)
InChIKeySIBNTQWLASDUPM-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.01
Rot. Bonds4

About 3-acetamido-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide

3-acetamido-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide (PubChem CID 75413408) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-acetamido-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide
PubChem CID75413408
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC Name3-acetamido-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide
SMILESCC(=O)NCCC(=O)NC1CCSc2c(F)cccc21
InChIInChI=1S/C14H17FN2O2S/c1-9(18)16-7-5-13(19)17-12-6-8-20-14-10(12)3-2-4-11(14)15/h2-4,12H,5-8H2,1H3,(H,16,18)(H,17,19)
InChIKeySIBNTQWLASDUPM-UHFFFAOYSA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-acetamido-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide 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 3-acetamido-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide?
The IUPAC name of 3-acetamido-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide (CID 75413408) is 3-acetamido-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide.
What is the SMILES notation for 3-acetamido-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide?
The canonical SMILES for 3-acetamido-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide is CC(=O)NCCC(=O)NC1CCSc2c(F)cccc21.
What is the InChIKey of 3-acetamido-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide?
The InChIKey is SIBNTQWLASDUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c1-9(18)16-7-5-13(19)17-12-6-8-20-14-10(12)3-2-4-11(14)15/h2-4,12H,5-8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 3-acetamido-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide?
3-acetamido-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide has a molecular weight of 296.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide is sourced from PubChem (CID 75413408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).