2-acetamido-N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide

C19H26F3N3O3S — CID 3431501

IUPAC2-acetamido-N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
SMILESCC(=O)NC(CSc1cccc(C(F)(F)F)c1)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C19H26F3N3O3S/c1-14(26)24-17(13-29-16-5-2-4-15(12-16)19(20,21)22)18(27)23-6-3-7-25-8-10-28-11-9-25/h2,4-5,12,17H,3,6-11,13H2,1H3,(H,23,27)(H,24,26)
InChIKeyZKRPPJLZIZJHNP-UHFFFAOYSA-N
MW433.50 g/mol
LogP2.14
Rot. Bonds9

About 2-acetamido-N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide

2-acetamido-N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide (PubChem CID 3431501) has the molecular formula C19H26F3N3O3S and a molecular weight of 433.50 g/mol. Its IUPAC name is 2-acetamido-N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
PubChem CID3431501
Molecular FormulaC19H26F3N3O3S
Molecular Weight433.50 g/mol
Exact Mass433.16
IUPAC Name2-acetamido-N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
SMILESCC(=O)NC(CSc1cccc(C(F)(F)F)c1)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C19H26F3N3O3S/c1-14(26)24-17(13-29-16-5-2-4-15(12-16)19(20,21)22)18(27)23-6-3-7-25-8-10-28-11-9-25/h2,4-5,12,17H,3,6-11,13H2,1H3,(H,23,27)(H,24,26)
InChIKeyZKRPPJLZIZJHNP-UHFFFAOYSA-N
XLogP2.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-acetamido-N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide 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-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 2219795
2-(4-fluorophenyl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 18169460
2-[3-(Trifluoromethyl)phenyl]sulfanylmorpholin-3-one
CID 10826366
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 4802479
Boc-Ala-Cys(Ph(4-CF3))-OMe
CID 146165370
2-(2-methylphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)acetamide
CID 8195283
3-Methyl-4-(4-(p-tolylthio)butanoyl)piperazin-2-one
CID 44116505
N-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 24883410
1-Morpholin-4-yl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]ethanone
CID 51041587
2-(Cyclohexylamino)-1-(4-(3-(trifluoromethyl)phenyl sulfonyl)piperidin-1-yl)ethanone
CID 68314397
2-(Cyclohexylamino)-1-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfanylpiperidin-1-yl]ethanone
CID 123621194
N-[(2R)-1-(cyanomethylamino)-1-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-yl]morpholine-4-carboxamide
CID 142652335

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide (CID 3431501) is 2-acetamido-N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide is CC(=O)NC(CSc1cccc(C(F)(F)F)c1)C(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-acetamido-N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
The InChIKey is ZKRPPJLZIZJHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O3S/c1-14(26)24-17(13-29-16-5-2-4-15(12-16)19(20,21)22)18(27)23-6-3-7-25-8-10-28-11-9-25/h2,4-5,12,17H,3,6-11,13H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 2-acetamido-N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
2-acetamido-N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide has a molecular weight of 433.50 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide is sourced from PubChem (CID 3431501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).