(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide

C18H22N2O3S2 — CID 6074873

IUPAC(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)/C=C/c2cccs2)c1
InChIInChI=1S/C18H22N2O3S2/c1-4-20(5-2)25(22,23)16-10-8-14(3)17(13-16)19-18(21)11-9-15-7-6-12-24-15/h6-13H,4-5H2,1-3H3,(H,19,21)/b11-9+
InChIKeyYWMIABYOGPDAMX-PKNBQFBNSA-N
MW378.52 g/mol
LogP3.74
Rot. Bonds7

About (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 6074873) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID6074873
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)/C=C/c2cccs2)c1
InChIInChI=1S/C18H22N2O3S2/c1-4-20(5-2)25(22,23)16-10-8-14(3)17(13-16)19-18(21)11-9-15-7-6-12-24-15/h6-13H,4-5H2,1-3H3,(H,19,21)/b11-9+
InChIKeyYWMIABYOGPDAMX-PKNBQFBNSA-N
XLogP3.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide 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 (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide (CID 6074873) is (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)/C=C/c2cccs2)c1.
What is the InChIKey of (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is YWMIABYOGPDAMX-PKNBQFBNSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-4-20(5-2)25(22,23)16-10-8-14(3)17(13-16)19-18(21)11-9-15-7-6-12-24-15/h6-13H,4-5H2,1-3H3,(H,19,21)/b11-9+.
What are the key properties of (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 378.52 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 6074873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).