3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide

C16H17N3O3S — CID 6911488

IUPAC3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(N2CCOCC2)s1)c1cccc(O)c1
InChIInChI=1S/C16H17N3O3S/c20-13-3-1-2-12(10-13)16(21)18-17-11-14-4-5-15(23-14)19-6-8-22-9-7-19/h1-5,10-11,20H,6-9H2,(H,18,21)/b17-11+
InChIKeyLVJNDBOYXXKLNO-GZTJUZNOSA-N
MW331.40 g/mol
LogP2.05
Rot. Bonds4

About 3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide

3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide (PubChem CID 6911488) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
PubChem CID6911488
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(N2CCOCC2)s1)c1cccc(O)c1
InChIInChI=1S/C16H17N3O3S/c20-13-3-1-2-12(10-13)16(21)18-17-11-14-4-5-15(23-14)19-6-8-22-9-7-19/h1-5,10-11,20H,6-9H2,(H,18,21)/b17-11+
InChIKeyLVJNDBOYXXKLNO-GZTJUZNOSA-N
XLogP2.05
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 46804690
N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
CID 2354777
N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
CID 6902069
N-cyclopropyl-N'-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]oxamide
CID 9352428
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
CID 2465190
N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-hydroxybenzamide
CID 9234451
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135852734
4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide
CID 9060165
3-chloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline
CID 6302768
3,5-dimethoxy-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide
CID 9460693
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide
CID 9121609
N-[(E)-benzylideneamino]-3-hydroxybenzamide
CID 6869110

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of 3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide (CID 6911488) is 3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide is O=C(N/N=C/c1ccc(N2CCOCC2)s1)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide?
The InChIKey is LVJNDBOYXXKLNO-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-13-3-1-2-12(10-13)16(21)18-17-11-14-4-5-15(23-14)19-6-8-22-9-7-19/h1-5,10-11,20H,6-9H2,(H,18,21)/b17-11+.
What are the key properties of 3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide?
3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide has a molecular weight of 331.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 6911488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).