(2E)-3-oxo-N-(4-sulfamoylphenyl)-2-(thiophen-2-ylmethylidene)butanamide

C15H14N2O4S2 — CID 155524915

IUPAC(2E)-3-oxo-N-(4-sulfamoylphenyl)-2-(thiophen-2-ylmethylidene)butanamide
SMILESCC(=O)/C(=C\c1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H14N2O4S2/c1-10(18)14(9-12-3-2-8-22-12)15(19)17-11-4-6-13(7-5-11)23(16,20)21/h2-9H,1H3,(H,17,19)(H2,16,20,21)/b14-9+
InChIKeyYMJYNNBBJGHAJE-NTEUORMPSA-N
MW350.42 g/mol
LogP2.01
Rot. Bonds5

About (2E)-3-oxo-N-(4-sulfamoylphenyl)-2-(thiophen-2-ylmethylidene)butanamide

(2E)-3-oxo-N-(4-sulfamoylphenyl)-2-(thiophen-2-ylmethylidene)butanamide (PubChem CID 155524915) has the molecular formula C15H14N2O4S2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2E)-3-oxo-N-(4-sulfamoylphenyl)-2-(thiophen-2-ylmethylidene)butanamide.

Molecular Properties

Compound Name(2E)-3-oxo-N-(4-sulfamoylphenyl)-2-(thiophen-2-ylmethylidene)butanamide
PubChem CID155524915
Molecular FormulaC15H14N2O4S2
Molecular Weight350.42 g/mol
Exact Mass350.04
IUPAC Name(2E)-3-oxo-N-(4-sulfamoylphenyl)-2-(thiophen-2-ylmethylidene)butanamide
SMILESCC(=O)/C(=C\c1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H14N2O4S2/c1-10(18)14(9-12-3-2-8-22-12)15(19)17-11-4-6-13(7-5-11)23(16,20)21/h2-9H,1H3,(H,17,19)(H2,16,20,21)/b14-9+
InChIKeyYMJYNNBBJGHAJE-NTEUORMPSA-N
XLogP2.01
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-3-oxo-N-(4-sulfamoylphenyl)-2-(thiophen-2-ylmethylidene)butanamide?
The IUPAC name of (2E)-3-oxo-N-(4-sulfamoylphenyl)-2-(thiophen-2-ylmethylidene)butanamide (CID 155524915) is (2E)-3-oxo-N-(4-sulfamoylphenyl)-2-(thiophen-2-ylmethylidene)butanamide.
What is the SMILES notation for (2E)-3-oxo-N-(4-sulfamoylphenyl)-2-(thiophen-2-ylmethylidene)butanamide?
The canonical SMILES for (2E)-3-oxo-N-(4-sulfamoylphenyl)-2-(thiophen-2-ylmethylidene)butanamide is CC(=O)/C(=C\c1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (2E)-3-oxo-N-(4-sulfamoylphenyl)-2-(thiophen-2-ylmethylidene)butanamide?
The InChIKey is YMJYNNBBJGHAJE-NTEUORMPSA-N. The full InChI is InChI=1S/C15H14N2O4S2/c1-10(18)14(9-12-3-2-8-22-12)15(19)17-11-4-6-13(7-5-11)23(16,20)21/h2-9H,1H3,(H,17,19)(H2,16,20,21)/b14-9+.
What are the key properties of (2E)-3-oxo-N-(4-sulfamoylphenyl)-2-(thiophen-2-ylmethylidene)butanamide?
(2E)-3-oxo-N-(4-sulfamoylphenyl)-2-(thiophen-2-ylmethylidene)butanamide has a molecular weight of 350.42 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-oxo-N-(4-sulfamoylphenyl)-2-(thiophen-2-ylmethylidene)butanamide is sourced from PubChem (CID 155524915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).