[3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone

C24H22N4O2S — CID 78114294

IUPAC[3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1CCOCC1Cc1cccc(-c2cccs2)c1
InChIInChI=1S/C24H22N4O2S/c29-24(21-7-1-2-8-22(21)28-25-10-11-26-28)27-12-13-30-17-20(27)16-18-5-3-6-19(15-18)23-9-4-14-31-23/h1-11,14-15,20H,12-13,16-17H2
InChIKeyYHWXLTYWQSZIKW-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.08
Rot. Bonds5

About [3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone

[3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 78114294) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is [3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID78114294
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC Name[3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1CCOCC1Cc1cccc(-c2cccs2)c1
InChIInChI=1S/C24H22N4O2S/c29-24(21-7-1-2-8-22(21)28-25-10-11-26-28)27-12-13-30-17-20(27)16-18-5-3-6-19(15-18)23-9-4-14-31-23/h1-11,14-15,20H,12-13,16-17H2
InChIKeyYHWXLTYWQSZIKW-UHFFFAOYSA-N
XLogP4.08
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 71566268
[5-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71566197
[3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)-4-(trifluoromethyl)phenyl]methanone
CID 78114425
[(3R)-3-[[4-methoxy-3-(1,3-oxazol-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 71565956
[4-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methyl-3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565731
[(3R)-3-[[2-chloro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118117277
tert-butyl 3-[(3-pyridin-3-ylphenyl)methyl]morpholine-4-carboxylate
CID 118116680
[4-methyl-2-(triazol-2-yl)phenyl]-[(2R,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565520
[3-(hydroxymethyl)morpholin-4-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 118760713
(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 69058576
(6R)-1-(2-methylpyrazole-3-carbonyl)-4-propyl-6-[(3-thiophen-2-ylphenyl)methyl]-1,4-diazepan-5-one
CID 92587167
[6-(azetidin-1-yl)-3-pyridinyl]-[(3S)-3-benzylmorpholin-4-yl]methanone
CID 164638802

Frequently Asked Questions

What is the IUPAC name of [3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 78114294) is [3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone is O=C(c1ccccc1-n1nccn1)N1CCOCC1Cc1cccc(-c2cccs2)c1.
What is the InChIKey of [3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is YHWXLTYWQSZIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c29-24(21-7-1-2-8-22(21)28-25-10-11-26-28)27-12-13-30-17-20(27)16-18-5-3-6-19(15-18)23-9-4-14-31-23/h1-11,14-15,20H,12-13,16-17H2.
What are the key properties of [3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
[3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 430.53 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 78114294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).