4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide

C28H30N4O6S — CID 126126887

IUPAC4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C\c3ccc(OCC(=O)N4CCOCC4)cc3)cc2)cc1
InChIInChI=1S/C28H30N4O6S/c1-21-3-13-26(14-4-21)39(35,36)31(2)24-9-7-23(8-10-24)28(34)30-29-19-22-5-11-25(12-6-22)38-20-27(33)32-15-17-37-18-16-32/h3-14,19H,15-18,20H2,1-2H3,(H,30,34)/b29-19-
InChIKeyUJCILUDJHBFANF-CEUNXORHSA-N
MW550.64 g/mol
LogP2.82
Rot. Bonds9

About 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide

4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide (PubChem CID 126126887) has the molecular formula C28H30N4O6S and a molecular weight of 550.64 g/mol. Its IUPAC name is 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide
PubChem CID126126887
Molecular FormulaC28H30N4O6S
Molecular Weight550.64 g/mol
Exact Mass550.19
IUPAC Name4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C\c3ccc(OCC(=O)N4CCOCC4)cc3)cc2)cc1
InChIInChI=1S/C28H30N4O6S/c1-21-3-13-26(14-4-21)39(35,36)31(2)24-9-7-23(8-10-24)28(34)30-29-19-22-5-11-25(12-6-22)38-20-27(33)32-15-17-37-18-16-32/h3-14,19H,15-18,20H2,1-2H3,(H,30,34)/b29-19-
InChIKeyUJCILUDJHBFANF-CEUNXORHSA-N
XLogP2.82
TPSA117.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.64
LogP ≤ 52.82
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'}

Analyze 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide 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

N,4-dimethyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzenesulfonamide
CID 1190688
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126124875
N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126146437
N,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 17247239
N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-methylbenzamide
CID 126383669
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 124535393
4-[methyl(methylsulfonyl)amino]-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 126126939
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-morpholin-4-ylethyl)acetamide
CID 17247264
4-[methyl(methylsulfonyl)amino]-N-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]benzamide
CID 126117645
N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 126027835
N,4-dimethyl-N-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]phenyl]benzenesulfonamide
CID 92649244

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide (CID 126126887) is 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C\c3ccc(OCC(=O)N4CCOCC4)cc3)cc2)cc1.
What is the InChIKey of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide?
The InChIKey is UJCILUDJHBFANF-CEUNXORHSA-N. The full InChI is InChI=1S/C28H30N4O6S/c1-21-3-13-26(14-4-21)39(35,36)31(2)24-9-7-23(8-10-24)28(34)30-29-19-22-5-11-25(12-6-22)38-20-27(33)32-15-17-37-18-16-32/h3-14,19H,15-18,20H2,1-2H3,(H,30,34)/b29-19-.
What are the key properties of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide?
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide has a molecular weight of 550.64 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 126126887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).