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

C16H18Cl2N6O2S — CID 2992072

IUPACN-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCNc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H18Cl2N6O2S/c1-19-14-21-15(24-4-6-26-7-5-24)23-16(22-14)27-9-13(25)20-10-2-3-11(17)12(18)8-10/h2-3,8H,4-7,9H2,1H3,(H,20,25)(H,19,21,22,23)
InChIKeyZMRHKMVCEJYTRU-UHFFFAOYSA-N
MW429.33 g/mol
LogP2.79
Rot. Bonds6

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

N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide (PubChem CID 2992072) has the molecular formula C16H18Cl2N6O2S and a molecular weight of 429.33 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
PubChem CID2992072
Molecular FormulaC16H18Cl2N6O2S
Molecular Weight429.33 g/mol
Exact Mass428.06
IUPAC NameN-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCNc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H18Cl2N6O2S/c1-19-14-21-15(24-4-6-26-7-5-24)23-16(22-14)27-9-13(25)20-10-2-3-11(17)12(18)8-10/h2-3,8H,4-7,9H2,1H3,(H,20,25)(H,19,21,22,23)
InChIKeyZMRHKMVCEJYTRU-UHFFFAOYSA-N
XLogP2.79
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-{[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]sulfanyl}-N-phenylacetamide
CID 1002154
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-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
CID 1091695
2-{[4-(isopropylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}-N-phenylacetamide
CID 1252702
2-{[4-(ethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}-N-phenylpropanamide
CID 2949756
N-(2,4-dichlorophenyl)-2-{[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]sulfanyl}acetamide
CID 2982514
N-(3,4-dichlorophenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine hydrochloride
CID 18580228
N-(4-((4-((4-chlorophenyl)amino)-6-morpholino-1,3,5-triazin-2-yl)amino)phenyl)acetamide
CID 16810767
2-{[4-(isobutylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}-N-phenylacetamide
CID 2230192
2-{[4-(methylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}-N-phenylacetamide
CID 2989170
2-(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-ylsulfanyl)-N-phenyl-propionamide
CID 650940

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide (CID 2992072) is N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide is CNc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc(N2CCOCC2)n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The InChIKey is ZMRHKMVCEJYTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N6O2S/c1-19-14-21-15(24-4-6-26-7-5-24)23-16(22-14)27-9-13(25)20-10-2-3-11(17)12(18)8-10/h2-3,8H,4-7,9H2,1H3,(H,20,25)(H,19,21,22,23).
What are the key properties of N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide has a molecular weight of 429.33 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2992072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).