N-(2-hydroxy-5-phenylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide

C22H23N3O2S — CID 134121712

IUPACN-(2-hydroxy-5-phenylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide
SMILESOc1ccc(-c2ccccc2)cc1N/C(=N/Cc1cccs1)N1CCOCC1
InChIInChI=1S/C22H23N3O2S/c26-21-9-8-18(17-5-2-1-3-6-17)15-20(21)24-22(25-10-12-27-13-11-25)23-16-19-7-4-14-28-19/h1-9,14-15,26H,10-13,16H2,(H,23,24)
InChIKeyRGOAMWIZZVHDMB-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.42
Rot. Bonds4

About N-(2-hydroxy-5-phenylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide

N-(2-hydroxy-5-phenylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide (PubChem CID 134121712) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(2-hydroxy-5-phenylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-phenylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide
PubChem CID134121712
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-(2-hydroxy-5-phenylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide
SMILESOc1ccc(-c2ccccc2)cc1N/C(=N/Cc1cccs1)N1CCOCC1
InChIInChI=1S/C22H23N3O2S/c26-21-9-8-18(17-5-2-1-3-6-17)15-20(21)24-22(25-10-12-27-13-11-25)23-16-19-7-4-14-28-19/h1-9,14-15,26H,10-13,16H2,(H,23,24)
InChIKeyRGOAMWIZZVHDMB-UHFFFAOYSA-N
XLogP4.42
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-tert-butyl-2-hydroxyphenyl)-4-(2-hydroxyethyl)-N'-(thiophen-2-ylmethyl)piperazine-1-carboximidamide
CID 134088818
N-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
CID 134088813
methyl 3-[[C-(3,5-dimethylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)carbonimidoyl]amino]-4-hydroxybenzoate
CID 134091752
N-(2-hydroxy-5-phenylphenyl)-N'-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 134111550
N-ethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 110955756
N'-benzyl-N-(4-nitrophenyl)morpholine-4-carboximidamide
CID 132838246
N-[2-(furan-2-yl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)-N'-(thiophen-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 111367602
N-[2-hydroxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-1-morpholin-4-ylcyclopropane-1-carboxamide
CID 148500321
1-(5-tert-butyl-2-hydroxyphenyl)-3-(2-hydroxyethyl)-2-(thiophen-2-ylmethyl)guanidine
CID 134088801
N-[2-(morpholine-4-carbonyl)phenyl]-2-thiophen-2-ylacetamide
CID 2988771
N-ethyl-4-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
CID 111209931
N-[4-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide
CID 123997655

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-phenylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide?
The IUPAC name of N-(2-hydroxy-5-phenylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide (CID 134121712) is N-(2-hydroxy-5-phenylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide.
What is the SMILES notation for N-(2-hydroxy-5-phenylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide?
The canonical SMILES for N-(2-hydroxy-5-phenylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide is Oc1ccc(-c2ccccc2)cc1N/C(=N/Cc1cccs1)N1CCOCC1.
What is the InChIKey of N-(2-hydroxy-5-phenylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide?
The InChIKey is RGOAMWIZZVHDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c26-21-9-8-18(17-5-2-1-3-6-17)15-20(21)24-22(25-10-12-27-13-11-25)23-16-19-7-4-14-28-19/h1-9,14-15,26H,10-13,16H2,(H,23,24).
What are the key properties of N-(2-hydroxy-5-phenylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide?
N-(2-hydroxy-5-phenylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide has a molecular weight of 393.51 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-phenylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide is sourced from PubChem (CID 134121712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).