3-morpholin-4-ylsulfonyl-N-(1-phenylethylideneamino)benzamide

C19H21N3O4S — CID 4283114

IUPAC3-morpholin-4-ylsulfonyl-N-(1-phenylethylideneamino)benzamide
SMILESCC(=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C19H21N3O4S/c1-15(16-6-3-2-4-7-16)20-21-19(23)17-8-5-9-18(14-17)27(24,25)22-10-12-26-13-11-22/h2-9,14H,10-13H2,1H3,(H,21,23)
InChIKeyYFOABSKWVXRTCI-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.86
Rot. Bonds5

About 3-morpholin-4-ylsulfonyl-N-(1-phenylethylideneamino)benzamide

3-morpholin-4-ylsulfonyl-N-(1-phenylethylideneamino)benzamide (PubChem CID 4283114) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-(1-phenylethylideneamino)benzamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-(1-phenylethylideneamino)benzamide
PubChem CID4283114
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name3-morpholin-4-ylsulfonyl-N-(1-phenylethylideneamino)benzamide
SMILESCC(=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C19H21N3O4S/c1-15(16-6-3-2-4-7-16)20-21-19(23)17-8-5-9-18(14-17)27(24,25)22-10-12-26-13-11-22/h2-9,14H,10-13H2,1H3,(H,21,23)
InChIKeyYFOABSKWVXRTCI-UHFFFAOYSA-N
XLogP1.86
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-morpholin-4-ylsulfonyl-N-(1-phenylethylideneamino)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

4-Phenyl-4-[(3-piperidin-1-ylsulfonylbenzoyl)hydrazinylidene]butanoic acid
CID 3979456
N'-(4-methylbenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2358276
2-Methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one
CID 1080067
2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 2006835
3-(Morpholine-4-sulfonyl)benzohydrazide
CID 877246
N-(2-methoxyethyl)-2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzenesulfonamide
CID 644993
ethyl 2-[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)phenyl]sulfonylamino]acetate
CID 660518
3-morpholin-4-ylsulfonyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 6905617
3-morpholin-4-ylsulfonyl-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
CID 6906279
3-(diethylsulfamoyl)-N-[(E)-(3-oxocyclohexylidene)amino]benzamide
CID 9643793
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 16357171
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 135675886

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-(1-phenylethylideneamino)benzamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-(1-phenylethylideneamino)benzamide (CID 4283114) is 3-morpholin-4-ylsulfonyl-N-(1-phenylethylideneamino)benzamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-(1-phenylethylideneamino)benzamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-(1-phenylethylideneamino)benzamide is CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-(1-phenylethylideneamino)benzamide?
The InChIKey is YFOABSKWVXRTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-15(16-6-3-2-4-7-16)20-21-19(23)17-8-5-9-18(14-17)27(24,25)22-10-12-26-13-11-22/h2-9,14H,10-13H2,1H3,(H,21,23).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-(1-phenylethylideneamino)benzamide?
3-morpholin-4-ylsulfonyl-N-(1-phenylethylideneamino)benzamide has a molecular weight of 387.46 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-(1-phenylethylideneamino)benzamide is sourced from PubChem (CID 4283114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).