2-acetamido-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide

C11H12F3N3O2S — CID 107769779

IUPAC2-acetamido-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCC(=O)NC(CS)C(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H12F3N3O2S/c1-6(18)16-8(5-20)10(19)17-7-2-3-9(15-4-7)11(12,13)14/h2-4,8,20H,5H2,1H3,(H,16,18)(H,17,19)
InChIKeyONMFNWVVXPQZHQ-UHFFFAOYSA-N
MW307.30 g/mol
LogP1.47
Rot. Bonds4

About 2-acetamido-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide

2-acetamido-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 107769779) has the molecular formula C11H12F3N3O2S and a molecular weight of 307.30 g/mol. Its IUPAC name is 2-acetamido-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
PubChem CID107769779
Molecular FormulaC11H12F3N3O2S
Molecular Weight307.30 g/mol
Exact Mass307.06
IUPAC Name2-acetamido-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCC(=O)NC(CS)C(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H12F3N3O2S/c1-6(18)16-8(5-20)10(19)17-7-2-3-9(15-4-7)11(12,13)14/h2-4,8,20H,5H2,1H3,(H,16,18)(H,17,19)
InChIKeyONMFNWVVXPQZHQ-UHFFFAOYSA-N
XLogP1.47
TPSA71.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-acetamido-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide 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

N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82706557
2-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-sulfanylpropanamide
CID 107769620
2-acetamido-N-(4-methylsulfonylphenyl)-3-sulfanylpropanamide
CID 107769049
2-acetamido-N-(4-hydroxyphenyl)-3-sulfanylpropanamide
CID 12850521
(2R)-2-amino-4-methylsulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide
CID 104908933
2-carbamothioyl-N-[6-(trifluoromethyl)-3-pyridinyl]pentanamide
CID 82817487
2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 114329026
(2S)-2-amino-2-phenyl-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 104898299
N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
CID 68813957
N-[(2R)-2-hydroxypropyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide
CID 124652117
ethyl 4-oxo-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]butanoate
CID 82706361

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The IUPAC name of 2-acetamido-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide (CID 107769779) is 2-acetamido-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide.
What is the SMILES notation for 2-acetamido-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The canonical SMILES for 2-acetamido-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide is CC(=O)NC(CS)C(=O)Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-acetamido-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The InChIKey is ONMFNWVVXPQZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2S/c1-6(18)16-8(5-20)10(19)17-7-2-3-9(15-4-7)11(12,13)14/h2-4,8,20H,5H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-acetamido-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
2-acetamido-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 307.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 107769779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).