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

C22H25N5O2S — CID 39968410

IUPACN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nncn1-c1ccccc1)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C22H25N5O2S/c28-21(16-30-22-25-24-17-27(22)20-8-2-1-3-9-20)23-14-18-6-4-5-7-19(18)15-26-10-12-29-13-11-26/h1-9,17H,10-16H2,(H,23,28)
InChIKeyHMUHDHMITANAER-UHFFFAOYSA-N
MW423.54 g/mol
LogP2.51
Rot. Bonds8

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

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 39968410) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID39968410
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nncn1-c1ccccc1)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C22H25N5O2S/c28-21(16-30-22-25-24-17-27(22)20-8-2-1-3-9-20)23-14-18-6-4-5-7-19(18)15-26-10-12-29-13-11-26/h1-9,17H,10-16H2,(H,23,28)
InChIKeyHMUHDHMITANAER-UHFFFAOYSA-N
XLogP2.51
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]ethyl]acetamide
CID 16529726
2-(2-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 51207846
N-[(4-chlorophenyl)methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2563847
2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55621146
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylsulfanylpropanamide
CID 9481241
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8926696
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 39630789
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 39470681
methyl 4-[[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]methyl]benzoate
CID 2477659
N-[2-(2,6-difluorophenyl)ethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 87006931
2-phenylsulfanyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143003

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 39968410) is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is O=C(CSc1nncn1-c1ccccc1)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is HMUHDHMITANAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S/c28-21(16-30-22-25-24-17-27(22)20-8-2-1-3-9-20)23-14-18-6-4-5-7-19(18)15-26-10-12-29-13-11-26/h1-9,17H,10-16H2,(H,23,28).
What are the key properties of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 423.54 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 39968410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).