N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide

C19H23N3O4S — CID 155812617

IUPACN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(S(C)(=O)=O)cc2)c(O)c1
InChIInChI=1S/C19H23N3O4S/c1-4-22(5-2)16-9-6-15(18(23)12-16)13-20-21-19(24)14-7-10-17(11-8-14)27(3,25)26/h6-13,23H,4-5H2,1-3H3,(H,21,24)/b20-13+
InChIKeyLYMNUZPLGHCBEG-DEDYPNTBSA-N
MW389.48 g/mol
LogP2.41
Rot. Bonds7

About N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide

N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide (PubChem CID 155812617) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide
PubChem CID155812617
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(S(C)(=O)=O)cc2)c(O)c1
InChIInChI=1S/C19H23N3O4S/c1-4-22(5-2)16-9-6-15(18(23)12-16)13-20-21-19(24)14-7-10-17(11-8-14)27(3,25)26/h6-13,23H,4-5H2,1-3H3,(H,21,24)/b20-13+
InChIKeyLYMNUZPLGHCBEG-DEDYPNTBSA-N
XLogP2.41
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide 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-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide
CID 135642474
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide
CID 135472599
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 139202887
4-(butanoylamino)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
CID 3370614
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
CID 135781530
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(dimethylamino)benzamide
CID 135982653
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 135614851
5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-3-carboxamide
CID 135643232
3-acetamido-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
CID 137122867
4-tert-butyl-N-[(E)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
CID 135503184
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-nitrobenzamide
CID 136858298
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 135460515

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide?
The IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide (CID 155812617) is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide is CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(S(C)(=O)=O)cc2)c(O)c1.
What is the InChIKey of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide?
The InChIKey is LYMNUZPLGHCBEG-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-4-22(5-2)16-9-6-15(18(23)12-16)13-20-21-19(24)14-7-10-17(11-8-14)27(3,25)26/h6-13,23H,4-5H2,1-3H3,(H,21,24)/b20-13+.
What are the key properties of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide?
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide has a molecular weight of 389.48 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide is sourced from PubChem (CID 155812617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).