(E)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide

C17H14N4O3S2 — CID 2352228

IUPAC(E)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C17H14N4O3S2/c22-16(9-6-14-3-1-12-25-14)20-13-4-7-15(8-5-13)26(23,24)21-17-18-10-2-11-19-17/h1-12H,(H,20,22)(H,18,19,21)/b9-6+
InChIKeyDSVJJYOLAAQMDN-RMKNXTFCSA-N
MW386.46 g/mol
LogP2.99
Rot. Bonds6

About (E)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 2352228) has the molecular formula C17H14N4O3S2 and a molecular weight of 386.46 g/mol. Its IUPAC name is (E)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID2352228
Molecular FormulaC17H14N4O3S2
Molecular Weight386.46 g/mol
Exact Mass386.05
IUPAC Name(E)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C17H14N4O3S2/c22-16(9-6-14-3-1-12-25-14)20-13-4-7-15(8-5-13)26(23,24)21-17-18-10-2-11-19-17/h1-12H,(H,20,22)(H,18,19,21)/b9-6+
InChIKeyDSVJJYOLAAQMDN-RMKNXTFCSA-N
XLogP2.99
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide (CID 2352228) is (E)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of (E)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is DSVJJYOLAAQMDN-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H14N4O3S2/c22-16(9-6-14-3-1-12-25-14)20-13-4-7-15(8-5-13)26(23,24)21-17-18-10-2-11-19-17/h1-12H,(H,20,22)(H,18,19,21)/b9-6+.
What are the key properties of (E)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 386.46 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 2352228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).