3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide

C19H17N3O4S2 — CID 6900566

IUPAC3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3cccs3)c2)cc1
InChIInChI=1S/C19H17N3O4S2/c1-26-16-9-7-15(8-10-16)22-28(24,25)18-6-2-4-14(12-18)19(23)21-20-13-17-5-3-11-27-17/h2-13,22H,1H3,(H,21,23)/b20-13+
InChIKeyMCRAQCWGSQDOSK-DEDYPNTBSA-N
MW415.50 g/mol
LogP3.32
Rot. Bonds7

About 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide

3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide (PubChem CID 6900566) has the molecular formula C19H17N3O4S2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
PubChem CID6900566
Molecular FormulaC19H17N3O4S2
Molecular Weight415.50 g/mol
Exact Mass415.07
IUPAC Name3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3cccs3)c2)cc1
InChIInChI=1S/C19H17N3O4S2/c1-26-16-9-7-15(8-10-16)22-28(24,25)18-6-2-4-14(12-18)19(23)21-20-13-17-5-3-11-27-17/h2-13,22H,1H3,(H,21,23)/b20-13+
InChIKeyMCRAQCWGSQDOSK-DEDYPNTBSA-N
XLogP3.32
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.32
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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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide (CID 6900566) is 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3cccs3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
The InChIKey is MCRAQCWGSQDOSK-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H17N3O4S2/c1-26-16-9-7-15(8-10-16)22-28(24,25)18-6-2-4-14(12-18)19(23)21-20-13-17-5-3-11-27-17/h2-13,22H,1H3,(H,21,23)/b20-13+.
What are the key properties of 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide has a molecular weight of 415.50 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 6900566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).