2-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide

C23H26N6O2S — CID 2965140

IUPAC2-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide
SMILESCC(Sc1nc(NCc2ccccc2)nc(N2CCOCC2)n1)C(=O)Nc1ccccc1
InChIInChI=1S/C23H26N6O2S/c1-17(20(30)25-19-10-6-3-7-11-19)32-23-27-21(24-16-18-8-4-2-5-9-18)26-22(28-23)29-12-14-31-15-13-29/h2-11,17H,12-16H2,1H3,(H,25,30)(H,24,26,27,28)
InChIKeyKDOVANNCSRGMGT-UHFFFAOYSA-N
MW450.57 g/mol
LogP3.44
Rot. Bonds8

About 2-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide

2-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide (PubChem CID 2965140) has the molecular formula C23H26N6O2S and a molecular weight of 450.57 g/mol. Its IUPAC name is 2-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide
PubChem CID2965140
Molecular FormulaC23H26N6O2S
Molecular Weight450.57 g/mol
Exact Mass450.18
IUPAC Name2-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide
SMILESCC(Sc1nc(NCc2ccccc2)nc(N2CCOCC2)n1)C(=O)Nc1ccccc1
InChIInChI=1S/C23H26N6O2S/c1-17(20(30)25-19-10-6-3-7-11-19)32-23-27-21(24-16-18-8-4-2-5-9-18)26-22(28-23)29-12-14-31-15-13-29/h2-11,17H,12-16H2,1H3,(H,25,30)(H,24,26,27,28)
InChIKeyKDOVANNCSRGMGT-UHFFFAOYSA-N
XLogP3.44
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide 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-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]thio}-N-phenylacetamide
CID 2242295
2-[[4-(dimethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide
CID 3155205
2-[6-(dimethylamino)-4-(ethylamino)(1,3,5-triazin-2-ylthio)]-N-phenylpropanami de
CID 3155206
2-{[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
CID 2982947
2-{[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]sulfanyl}-N-phenylacetamide
CID 1002154
2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
CID 1091695
2-{[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
CID 1252650
2-{[4-(isopropylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}-N-phenylacetamide
CID 1252702
2-{[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]thio}-N-phenylacetamide
CID 2236683
2-{[4-(ethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}-N-phenylpropanamide
CID 2949756
2-[(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)thio]-3-oxo-N-phenylbutanamide
CID 2952037
2-({4-[(4-Fluorophenyl)amino]-6-[(1-phenylethyl)amino]-1,3,5-triazin-2-yl}thio)acetamide
CID 2967128

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide?
The IUPAC name of 2-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide (CID 2965140) is 2-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide.
What is the SMILES notation for 2-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide?
The canonical SMILES for 2-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide is CC(Sc1nc(NCc2ccccc2)nc(N2CCOCC2)n1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide?
The InChIKey is KDOVANNCSRGMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2S/c1-17(20(30)25-19-10-6-3-7-11-19)32-23-27-21(24-16-18-8-4-2-5-9-18)26-22(28-23)29-12-14-31-15-13-29/h2-11,17H,12-16H2,1H3,(H,25,30)(H,24,26,27,28).
What are the key properties of 2-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide?
2-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide has a molecular weight of 450.57 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(benzylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide is sourced from PubChem (CID 2965140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).