N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide

C22H24N4O3S2 — CID 6904011

IUPACN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C22H24N4O3S2/c1-3-26(4-2)20-13-7-17(8-14-20)16-23-24-22(27)18-9-11-19(12-10-18)25-31(28,29)21-6-5-15-30-21/h5-16,25H,3-4H2,1-2H3,(H,24,27)/b23-16+
InChIKeyIQSAHBNGBPDAHE-XQNSMLJCSA-N
MW456.59 g/mol
LogP4.16
Rot. Bonds9

About N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 6904011) has the molecular formula C22H24N4O3S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID6904011
Molecular FormulaC22H24N4O3S2
Molecular Weight456.59 g/mol
Exact Mass456.13
IUPAC NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C22H24N4O3S2/c1-3-26(4-2)20-13-7-17(8-14-20)16-23-24-22(27)18-9-11-19(12-10-18)25-31(28,29)21-6-5-15-30-21/h5-16,25H,3-4H2,1-2H3,(H,24,27)/b23-16+
InChIKeyIQSAHBNGBPDAHE-XQNSMLJCSA-N
XLogP4.16
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.16
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-[(4-tert-butylphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 2382657
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 135745545
N-[(E)-(4-chlorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 18206532
N-[(4-nitrophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 2370561
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 5402047
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 164880526
[4-[(E)-[[4-(thiophen-2-ylsulfonylamino)benzoyl]hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate
CID 6906690
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide
CID 5432105
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-methoxybenzamide
CID 5372104
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 6904011) is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is IQSAHBNGBPDAHE-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H24N4O3S2/c1-3-26(4-2)20-13-7-17(8-14-20)16-23-24-22(27)18-9-11-19(12-10-18)25-31(28,29)21-6-5-15-30-21/h5-16,25H,3-4H2,1-2H3,(H,24,27)/b23-16+.
What are the key properties of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 456.59 g/mol, XLogP of 4.16, 9 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]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 6904011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).