2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,2-diphenylacetamide

C25H29N5O3S — CID 24601790

IUPAC2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,2-diphenylacetamide
SMILESO=C(Nc1ccccc1)C(Sc1nnc(N2CCOCC2)n1CC1CCCO1)c1ccccc1
InChIInChI=1S/C25H29N5O3S/c31-23(26-20-10-5-2-6-11-20)22(19-8-3-1-4-9-19)34-25-28-27-24(29-13-16-32-17-14-29)30(25)18-21-12-7-15-33-21/h1-6,8-11,21-22H,7,12-18H2,(H,26,31)
InChIKeyQAUSXIHAPBGQJJ-UHFFFAOYSA-N
MW479.61 g/mol
LogP3.77
Rot. Bonds8

About 2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,2-diphenylacetamide

2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,2-diphenylacetamide (PubChem CID 24601790) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is 2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,2-diphenylacetamide.

Molecular Properties

Compound Name2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,2-diphenylacetamide
PubChem CID24601790
Molecular FormulaC25H29N5O3S
Molecular Weight479.61 g/mol
Exact Mass479.20
IUPAC Name2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,2-diphenylacetamide
SMILESO=C(Nc1ccccc1)C(Sc1nnc(N2CCOCC2)n1CC1CCCO1)c1ccccc1
InChIInChI=1S/C25H29N5O3S/c31-23(26-20-10-5-2-6-11-20)22(19-8-3-1-4-9-19)34-25-28-27-24(29-13-16-32-17-14-29)30(25)18-21-12-7-15-33-21/h1-6,8-11,21-22H,7,12-18H2,(H,26,31)
InChIKeyQAUSXIHAPBGQJJ-UHFFFAOYSA-N
XLogP3.77
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,2-diphenylacetamide with MolForge

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Related Compounds

2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 166199276
2-[(4-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,2-diphenylacetamide
CID 24558469
2-[[5-(4-methylpiperidin-1-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone
CID 24591423
2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylpropanamide
CID 16585657
2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 55393619
N-(4-ethoxyphenyl)-2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 16585674
N-(3-acetylphenyl)-2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 55392718
4-[2-[[4-(oxolan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide
CID 24591568
(2R)-N-(4-fluorophenyl)-2-[[4-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 25351299
2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 16585592
2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3,4-trifluorophenyl)propanamide
CID 24601721
2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N,2-diphenylacetamide
CID 16604123

Frequently Asked Questions

What is the IUPAC name of 2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,2-diphenylacetamide?
The IUPAC name of 2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,2-diphenylacetamide (CID 24601790) is 2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,2-diphenylacetamide.
What is the SMILES notation for 2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,2-diphenylacetamide?
The canonical SMILES for 2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,2-diphenylacetamide is O=C(Nc1ccccc1)C(Sc1nnc(N2CCOCC2)n1CC1CCCO1)c1ccccc1.
What is the InChIKey of 2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,2-diphenylacetamide?
The InChIKey is QAUSXIHAPBGQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3S/c31-23(26-20-10-5-2-6-11-20)22(19-8-3-1-4-9-19)34-25-28-27-24(29-13-16-32-17-14-29)30(25)18-21-12-7-15-33-21/h1-6,8-11,21-22H,7,12-18H2,(H,26,31).
What are the key properties of 2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,2-diphenylacetamide?
2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,2-diphenylacetamide has a molecular weight of 479.61 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,2-diphenylacetamide is sourced from PubChem (CID 24601790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).