N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

C25H28N4O4S — CID 6900381

IUPACN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1
InChIInChI=1S/C25H28N4O4S/c1-4-29(5-2)21-15-13-19(14-16-21)18-26-27-25(30)20-9-8-10-22(17-20)34(31,32)28-23-11-6-7-12-24(23)33-3/h6-18,28H,4-5H2,1-3H3,(H,27,30)/b26-18+
InChIKeyUYUUPJTVOGKWJA-NLRVBDNBSA-N
MW480.59 g/mol
LogP4.11
Rot. Bonds10

About N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 6900381) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID6900381
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1
InChIInChI=1S/C25H28N4O4S/c1-4-29(5-2)21-15-13-19(14-16-21)18-26-27-25(30)20-9-8-10-22(17-20)34(31,32)28-23-11-6-7-12-24(23)33-3/h6-18,28H,4-5H2,1-3H3,(H,27,30)/b26-18+
InChIKeyUYUUPJTVOGKWJA-NLRVBDNBSA-N
XLogP4.11
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.11
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-[2-methoxy-5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 139033920
N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 9679069
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158
N-(5-(azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 16296311
N-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 139033918
N-[5-(azocan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 145946047
N-(2-Methoxy-phenyl)-3-(morpholine-4-sulfonyl)-benzamide
CID 1081943
3-Methoxy-4-[(3-methyl-5-oxo-1-p-tolyl-1,5-dihydro-pyrazol-4-ylidenemethyl)-amino]-N-p-tolyl-benzenesulfonamide
CID 1104353
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide
CID 2458949
3-Methoxy-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-pyrazol-4-ylidenemethyl)-amino]-N-p-tolyl-benzenesulfonamide
CID 3110253
5-(benzylsulfamoyl)-2-fluoro-N-(2-methoxyphenyl)benzamide
CID 3360601

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 6900381) is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1.
What is the InChIKey of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is UYUUPJTVOGKWJA-NLRVBDNBSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-4-29(5-2)21-15-13-19(14-16-21)18-26-27-25(30)20-9-8-10-22(17-20)34(31,32)28-23-11-6-7-12-24(23)33-3/h6-18,28H,4-5H2,1-3H3,(H,27,30)/b26-18+.
What are the key properties of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 480.59 g/mol, XLogP of 4.11, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 6900381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).