N-(1-phenylethylideneamino)-4-(thiophen-2-ylsulfonylamino)benzamide

C19H17N3O3S2 — CID 3509676

IUPACN-(1-phenylethylideneamino)-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC(=NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1
InChIInChI=1S/C19H17N3O3S2/c1-14(15-6-3-2-4-7-15)20-21-19(23)16-9-11-17(12-10-16)22-27(24,25)18-8-5-13-26-18/h2-13,22H,1H3,(H,21,23)
InChIKeyNLKWXEYXGZPNNE-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.70
Rot. Bonds6

About N-(1-phenylethylideneamino)-4-(thiophen-2-ylsulfonylamino)benzamide

N-(1-phenylethylideneamino)-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 3509676) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-(1-phenylethylideneamino)-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(1-phenylethylideneamino)-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID3509676
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC NameN-(1-phenylethylideneamino)-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC(=NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1
InChIInChI=1S/C19H17N3O3S2/c1-14(15-6-3-2-4-7-15)20-21-19(23)16-9-11-17(12-10-16)22-27(24,25)18-8-5-13-26-18/h2-13,22H,1H3,(H,21,23)
InChIKeyNLKWXEYXGZPNNE-UHFFFAOYSA-N
XLogP3.70
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.70
H-Bond Donors ≤ 52
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 N-(1-phenylethylideneamino)-4-(thiophen-2-ylsulfonylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethylideneamino)-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(1-phenylethylideneamino)-4-(thiophen-2-ylsulfonylamino)benzamide (CID 3509676) is N-(1-phenylethylideneamino)-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(1-phenylethylideneamino)-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(1-phenylethylideneamino)-4-(thiophen-2-ylsulfonylamino)benzamide is CC(=NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1.
What is the InChIKey of N-(1-phenylethylideneamino)-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is NLKWXEYXGZPNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S2/c1-14(15-6-3-2-4-7-15)20-21-19(23)16-9-11-17(12-10-16)22-27(24,25)18-8-5-13-26-18/h2-13,22H,1H3,(H,21,23).
What are the key properties of N-(1-phenylethylideneamino)-4-(thiophen-2-ylsulfonylamino)benzamide?
N-(1-phenylethylideneamino)-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 399.50 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethylideneamino)-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 3509676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).