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

C17H20Cl2N6O2S — CID 6492046

IUPACN-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCN(C)c1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H20Cl2N6O2S/c1-24(2)15-21-16(25-5-7-27-8-6-25)23-17(22-15)28-10-14(26)20-11-3-4-12(18)13(19)9-11/h3-4,9H,5-8,10H2,1-2H3,(H,20,26)
InChIKeyXVVNLABMEHTETQ-UHFFFAOYSA-N
MW443.36 g/mol
LogP2.81
Rot. Bonds6

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

N-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide (PubChem CID 6492046) has the molecular formula C17H20Cl2N6O2S and a molecular weight of 443.36 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
PubChem CID6492046
Molecular FormulaC17H20Cl2N6O2S
Molecular Weight443.36 g/mol
Exact Mass442.07
IUPAC NameN-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCN(C)c1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H20Cl2N6O2S/c1-24(2)15-21-16(25-5-7-27-8-6-25)23-17(22-15)28-10-14(26)20-11-3-4-12(18)13(19)9-11/h3-4,9H,5-8,10H2,1-2H3,(H,20,26)
InChIKeyXVVNLABMEHTETQ-UHFFFAOYSA-N
XLogP2.81
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide (CID 6492046) is N-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide is CN(C)c1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc(N2CCOCC2)n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The InChIKey is XVVNLABMEHTETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N6O2S/c1-24(2)15-21-16(25-5-7-27-8-6-25)23-17(22-15)28-10-14(26)20-11-3-4-12(18)13(19)9-11/h3-4,9H,5-8,10H2,1-2H3,(H,20,26).
What are the key properties of N-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
N-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide has a molecular weight of 443.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 6492046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).