2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide

C16H20FN5O2S — CID 8838299

IUPAC2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
SMILESCCn1c(SCC(=O)Nc2cccc(F)c2)nnc1N1CCOCC1
InChIInChI=1S/C16H20FN5O2S/c1-2-22-15(21-6-8-24-9-7-21)19-20-16(22)25-11-14(23)18-13-5-3-4-12(17)10-13/h3-5,10H,2,6-9,11H2,1H3,(H,18,23)
InChIKeyLOCOWDOSYBCAAP-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.00
Rot. Bonds6

About 2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide

2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide (PubChem CID 8838299) has the molecular formula C16H20FN5O2S and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
PubChem CID8838299
Molecular FormulaC16H20FN5O2S
Molecular Weight365.43 g/mol
Exact Mass365.13
IUPAC Name2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
SMILESCCn1c(SCC(=O)Nc2cccc(F)c2)nnc1N1CCOCC1
InChIInChI=1S/C16H20FN5O2S/c1-2-22-15(21-6-8-24-9-7-21)19-20-16(22)25-11-14(23)18-13-5-3-4-12(17)10-13/h3-5,10H,2,6-9,11H2,1H3,(H,18,23)
InChIKeyLOCOWDOSYBCAAP-UHFFFAOYSA-N
XLogP2.00
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide (CID 8838299) is 2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide is CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1N1CCOCC1.
What is the InChIKey of 2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
The InChIKey is LOCOWDOSYBCAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O2S/c1-2-22-15(21-6-8-24-9-7-21)19-20-16(22)25-11-14(23)18-13-5-3-4-12(17)10-13/h3-5,10H,2,6-9,11H2,1H3,(H,18,23).
What are the key properties of 2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide has a molecular weight of 365.43 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 8838299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).