2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide

C14H17N5O2S — CID 2242295

IUPAC2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
SMILESCCNc1nc(OC)nc(SCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C14H17N5O2S/c1-3-15-12-17-13(21-2)19-14(18-12)22-9-11(20)16-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,16,20)(H,15,17,18,19)
InChIKeyFDIZMSQIXCRHQX-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.04
Rot. Bonds7

About 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide

2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide (PubChem CID 2242295) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
PubChem CID2242295
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
SMILESCCNc1nc(OC)nc(SCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C14H17N5O2S/c1-3-15-12-17-13(21-2)19-14(18-12)22-9-11(20)16-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,16,20)(H,15,17,18,19)
InChIKeyFDIZMSQIXCRHQX-UHFFFAOYSA-N
XLogP2.04
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-Chloro-phenyl)-2-(4-dimethylamino-6-methoxy-[1,3,5]triazin-2-ylsulfanyl)-acetamide
CID 1916401
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-(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-{[4,6-Bis(diethylamino)-1,3,5-triazin-2-YL]sulfanyl}ethyl N-phenylcarbamate
CID 2885878
2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]thio}-3-oxo-N-phenylbutanamide
CID 2946449
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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide (CID 2242295) is 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide is CCNc1nc(OC)nc(SCC(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is FDIZMSQIXCRHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-3-15-12-17-13(21-2)19-14(18-12)22-9-11(20)16-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,16,20)(H,15,17,18,19).
What are the key properties of 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide?
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 319.39 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 2242295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).