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

C20H23N3O5S — CID 6900516

IUPACN-[(E)-(2-ethoxyphenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESCCOc1ccccc1/C=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H23N3O5S/c1-2-28-19-9-4-3-6-17(19)15-21-22-20(24)16-7-5-8-18(14-16)29(25,26)23-10-12-27-13-11-23/h3-9,14-15H,2,10-13H2,1H3,(H,22,24)/b21-15+
InChIKeyJOEJPTCXPNVNFV-RCCKNPSSSA-N
MW417.49 g/mol
LogP1.87
Rot. Bonds7

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

N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 6900516) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(E)-(2-ethoxyphenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID6900516
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-[(E)-(2-ethoxyphenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESCCOc1ccccc1/C=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H23N3O5S/c1-2-28-19-9-4-3-6-17(19)15-21-22-20(24)16-7-5-8-18(14-16)29(25,26)23-10-12-27-13-11-23/h3-9,14-15H,2,10-13H2,1H3,(H,22,24)/b21-15+
InChIKeyJOEJPTCXPNVNFV-RCCKNPSSSA-N
XLogP1.87
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.87
H-Bond Donors ≤ 51
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'}

Analyze N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide 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-[[2-(difluoromethoxy)phenyl]methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2340624
4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2528547
4-fluoro-N'-[2-(2-fluorophenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2545591
N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 6900339
2-[2-[(E)-[[3-(diethylsulfamoyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6900346
3-(diethylsulfamoyl)-N-[(E)-(2-ethoxyphenyl)methylideneamino]benzamide
CID 6900511
N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]-3-piperidin-1-ylsulfonylbenzamide
CID 9624780
(E)-N-(2-(2-(2,3-dimethoxybenzylidene)hydrazinyl)-2-oxoethyl)-4-(morpholinosulfonyl)benzamide
CID 9644320
N-[(E)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 16555854
4-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24816759
N-[(E)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 42912379
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 135675886

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide (CID 6900516) is N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide is CCOc1ccccc1/C=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is JOEJPTCXPNVNFV-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-2-28-19-9-4-3-6-17(19)15-21-22-20(24)16-7-5-8-18(14-16)29(25,26)23-10-12-27-13-11-23/h3-9,14-15H,2,10-13H2,1H3,(H,22,24)/b21-15+.
What are the key properties of N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide?
N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 417.49 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 6900516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).