2-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide

C20H20Cl2N6OS — CID 2215367

IUPAC2-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
SMILESCN(C)c1nc(NCc2ccccc2)nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C20H20Cl2N6OS/c1-28(2)19-25-18(23-11-13-6-4-3-5-7-13)26-20(27-19)30-12-17(29)24-14-8-9-15(21)16(22)10-14/h3-10H,11-12H2,1-2H3,(H,24,29)(H,23,25,26,27)
InChIKeyLSLGLSVLOXWNCW-UHFFFAOYSA-N
MW463.39 g/mol
LogP4.59
Rot. Bonds8

About 2-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide

2-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 2215367) has the molecular formula C20H20Cl2N6OS and a molecular weight of 463.39 g/mol. Its IUPAC name is 2-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
PubChem CID2215367
Molecular FormulaC20H20Cl2N6OS
Molecular Weight463.39 g/mol
Exact Mass462.08
IUPAC Name2-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
SMILESCN(C)c1nc(NCc2ccccc2)nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C20H20Cl2N6OS/c1-28(2)19-25-18(23-11-13-6-4-3-5-7-13)26-20(27-19)30-12-17(29)24-14-8-9-15(21)16(22)10-14/h3-10H,11-12H2,1-2H3,(H,24,29)(H,23,25,26,27)
InChIKeyLSLGLSVLOXWNCW-UHFFFAOYSA-N
XLogP4.59
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.39
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide with MolForge

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Related Compounds

N-(3,4-dichlorophenyl)-2-{[4-(ethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]sulfanyl}acetamide
CID 1002158
N-(3,4-dichlorophenyl)-2-{[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]thio}acetamide
CID 1087034
2-{[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]thio}-N-phenylacetamide
CID 2236683
2-{[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl}-N-phenylpropanamide
CID 3572223
N-(3,4-dichlorophenyl)-2-{[4-(methylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}acetamide
CID 2992072
2-{[4-(benzylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]thio}-N-phenylacetamide
CID 1289186
2-{[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]thio}-N-(2-chlorophenyl)acetamide
CID 2213607
N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanamide
CID 2950482
N-(3,4-Dichloro-phenyl)-2-(4-dimethylamino-6-morpholin-4-yl-[1,3,5]triazin-2-ylsulfanyl)-acetamide
CID 6492046
1-Benzyl-3-(3,4-dichlorophenyl)-1-(5-methyl-4,5-dihydrothiazol-2-yl)urea
CID 383615
Urea, N'-(3,4-dichlorophenyl)-N-methoxy-N-methyl-, mixt. with N-(1,1-dimethylethyl)-N'-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine
CID 157742
2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 17401469

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide (CID 2215367) is 2-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide is CN(C)c1nc(NCc2ccccc2)nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is LSLGLSVLOXWNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N6OS/c1-28(2)19-25-18(23-11-13-6-4-3-5-7-13)26-20(27-19)30-12-17(29)24-14-8-9-15(21)16(22)10-14/h3-10H,11-12H2,1-2H3,(H,24,29)(H,23,25,26,27).
What are the key properties of 2-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide?
2-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 463.39 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 2215367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).