N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide

C22H28N4O5S — CID 135460515

IUPACN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(O)c1
InChIInChI=1S/C22H28N4O5S/c1-3-25(4-2)19-9-8-18(21(27)15-19)16-23-24-22(28)17-6-5-7-20(14-17)32(29,30)26-10-12-31-13-11-26/h5-9,14-16,27H,3-4,10-13H2,1-2H3,(H,24,28)/b23-16+
InChIKeyNERHXBMOXUNYBH-XQNSMLJCSA-N
MW460.56 g/mol
LogP2.02
Rot. Bonds8

About N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide

N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 135460515) has the molecular formula C22H28N4O5S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID135460515
Molecular FormulaC22H28N4O5S
Molecular Weight460.56 g/mol
Exact Mass460.18
IUPAC NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(O)c1
InChIInChI=1S/C22H28N4O5S/c1-3-25(4-2)19-9-8-18(21(27)15-19)16-23-24-22(28)17-6-5-7-20(14-17)32(29,30)26-10-12-31-13-11-26/h5-9,14-16,27H,3-4,10-13H2,1-2H3,(H,24,28)/b23-16+
InChIKeyNERHXBMOXUNYBH-XQNSMLJCSA-N
XLogP2.02
TPSA111.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2665791
N-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 2588987
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(dimethylamino)benzamide
CID 135982653
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide
CID 155812617
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135675587
3-acetamido-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
CID 137122867
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide
CID 135472599
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide
CID 135642474
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 2325280
N-(1H-indol-3-ylmethylideneamino)-3-morpholin-4-ylsulfonylbenzamide
CID 2641960
3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide
CID 4611586
N-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 9061106

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide (CID 135460515) is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide is CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(O)c1.
What is the InChIKey of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is NERHXBMOXUNYBH-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H28N4O5S/c1-3-25(4-2)19-9-8-18(21(27)15-19)16-23-24-22(28)17-6-5-7-20(14-17)32(29,30)26-10-12-31-13-11-26/h5-9,14-16,27H,3-4,10-13H2,1-2H3,(H,24,28)/b23-16+.
What are the key properties of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 460.56 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 135460515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).