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

C17H20Cl2N6O2S — CID 1002158

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

N-(3,4-dichlorophenyl)-2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide (PubChem CID 1002158) has the molecular formula C17H20Cl2N6O2S and a molecular weight of 443.36 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(3,4-dichlorophenyl)-2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
• PubChem CID: 1002158
• Molecular Formula: C17H20Cl2N6O2S
• Molecular Weight: 443.36 g/mol
• Exact Mass: 442.07
• IUPAC Name: N-(3,4-dichlorophenyl)-2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
• SMILES: CCNc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc(N2CCOCC2)n1
• InChI: InChI=1S/C17H20Cl2N6O2S/c1-2-20-15-22-16(25-5-7-27-8-6-25)24-17(23-15)28-10-14(26)21-11-3-4-12(18)13(19)9-11/h3-4,9H,2,5-8,10H2,1H3,(H,21,26)(H,20,22,23,24)
• InChIKey: UCSRJZIUFDCRBV-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 92.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.36
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?

The IUPAC name of N-(3,4-dichlorophenyl)-2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide (CID 1002158) is N-(3,4-dichlorophenyl)-2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-(3,4-dichlorophenyl)-2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide is CCNc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc(N2CCOCC2)n1.

What is the InChIKey of N-(3,4-dichlorophenyl)-2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?

The InChIKey is UCSRJZIUFDCRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N6O2S/c1-2-20-15-22-16(25-5-7-27-8-6-25)24-17(23-15)28-10-14(26)21-11-3-4-12(18)13(19)9-11/h3-4,9H,2,5-8,10H2,1H3,(H,21,26)(H,20,22,23,24).

What are the key properties of N-(3,4-dichlorophenyl)-2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?

N-(3,4-dichlorophenyl)-2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide has a molecular weight of 443.36 g/mol, XLogP of 3.18, 7 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-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 1002158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).