N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide

C22H23N5O4S — CID 6092193

IUPACN-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESC/C(=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H23N5O4S/c1-17(18-5-7-20(8-6-18)26-10-9-23-16-26)24-25-22(28)19-3-2-4-21(15-19)32(29,30)27-11-13-31-14-12-27/h2-10,15-16H,11-14H2,1H3,(H,25,28)/b24-17-
InChIKeyHGBVWVKGURRQDA-ULJHMMPZSA-N
MW453.52 g/mol
LogP2.05
Rot. Bonds6

About N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide

N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 6092193) has the molecular formula C22H23N5O4S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID6092193
Molecular FormulaC22H23N5O4S
Molecular Weight453.52 g/mol
Exact Mass453.15
IUPAC NameN-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESC/C(=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H23N5O4S/c1-17(18-5-7-20(8-6-18)26-10-9-23-16-26)24-25-22(28)19-3-2-4-21(15-19)32(29,30)27-11-13-31-14-12-27/h2-10,15-16H,11-14H2,1H3,(H,25,28)/b24-17-
InChIKeyHGBVWVKGURRQDA-ULJHMMPZSA-N
XLogP2.05
TPSA105.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 93057868
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 135755195
N-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3295556
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135775289
3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide
CID 4611586
N-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 9061106
N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 3484364
N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081959
N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 30382359
N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide
CID 9061071
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 25350523
N-[(E)-1-(3-morpholin-4-ylsulfonylphenyl)ethylideneamino]-3-(thiophen-2-ylsulfonylamino)pyridine-4-carboxamide
CID 172923742

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide (CID 6092193) is N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide is C/C(=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HGBVWVKGURRQDA-ULJHMMPZSA-N. The full InChI is InChI=1S/C22H23N5O4S/c1-17(18-5-7-20(8-6-18)26-10-9-23-16-26)24-25-22(28)19-3-2-4-21(15-19)32(29,30)27-11-13-31-14-12-27/h2-10,15-16H,11-14H2,1H3,(H,25,28)/b24-17-.
What are the key properties of N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 453.52 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 6092193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).