2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(morpholin-4-ylmethyl)phenyl]acetamide

C16H21N5O2S — CID 131942231

IUPAC2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESCc1nc(SCC(=O)Nc2ccccc2CN2CCOCC2)n[nH]1
InChIInChI=1S/C16H21N5O2S/c1-12-17-16(20-19-12)24-11-15(22)18-14-5-3-2-4-13(14)10-21-6-8-23-9-7-21/h2-5H,6-11H2,1H3,(H,18,22)(H,17,19,20)
InChIKeyCXBNAXIMIZFXAM-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.68
Rot. Bonds6

About 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(morpholin-4-ylmethyl)phenyl]acetamide

2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(morpholin-4-ylmethyl)phenyl]acetamide (PubChem CID 131942231) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(morpholin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(morpholin-4-ylmethyl)phenyl]acetamide
PubChem CID131942231
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESCc1nc(SCC(=O)Nc2ccccc2CN2CCOCC2)n[nH]1
InChIInChI=1S/C16H21N5O2S/c1-12-17-16(20-19-12)24-11-15(22)18-14-5-3-2-4-13(14)10-21-6-8-23-9-7-21/h2-5H,6-11H2,1H3,(H,18,22)(H,17,19,20)
InChIKeyCXBNAXIMIZFXAM-UHFFFAOYSA-N
XLogP1.68
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-iodophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8707821
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CID 966905
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24600510
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N-[2-[(2S)-1-cyanopropan-2-yl]sulfanylphenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 97313258
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N-[2-(morpholin-4-ylmethyl)phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
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1-(4-hydroxy-2-methylphenyl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 122150685
N-(4-fluorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(morpholin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(morpholin-4-ylmethyl)phenyl]acetamide (CID 131942231) is 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(morpholin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(morpholin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(morpholin-4-ylmethyl)phenyl]acetamide is Cc1nc(SCC(=O)Nc2ccccc2CN2CCOCC2)n[nH]1.
What is the InChIKey of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(morpholin-4-ylmethyl)phenyl]acetamide?
The InChIKey is CXBNAXIMIZFXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-12-17-16(20-19-12)24-11-15(22)18-14-5-3-2-4-13(14)10-21-6-8-23-9-7-21/h2-5H,6-11H2,1H3,(H,18,22)(H,17,19,20).
What are the key properties of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(morpholin-4-ylmethyl)phenyl]acetamide?
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(morpholin-4-ylmethyl)phenyl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(morpholin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 131942231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).