(2E,4E)-4-[ethyl(propyl)sulfamoyl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide

C22H32N2O3S — CID 130443944

IUPAC(2E,4E)-4-[ethyl(propyl)sulfamoyl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide
SMILESC=C/C=C\C(=C/C=C)NC(=O)C(/C=C\C)=C/C(=C\C)S(=O)(=O)N(CC)CCC
InChIInChI=1S/C22H32N2O3S/c1-7-13-16-20(15-9-3)23-22(25)19(14-8-2)18-21(11-5)28(26,27)24(12-6)17-10-4/h7-9,11,13-16,18H,1,3,10,12,17H2,2,4-6H3,(H,23,25)/b14-8-,16-13-,19-18+,20-15+,21-11+
InChIKeyCPDUQMHTSIKPTJ-YPFVKNKASA-N
MW404.58 g/mol
LogP4.38
Rot. Bonds12

About (2E,4E)-4-[ethyl(propyl)sulfamoyl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide

(2E,4E)-4-[ethyl(propyl)sulfamoyl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide (PubChem CID 130443944) has the molecular formula C22H32N2O3S and a molecular weight of 404.58 g/mol. Its IUPAC name is (2E,4E)-4-[ethyl(propyl)sulfamoyl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-4-[ethyl(propyl)sulfamoyl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide
PubChem CID130443944
Molecular FormulaC22H32N2O3S
Molecular Weight404.58 g/mol
Exact Mass404.21
IUPAC Name(2E,4E)-4-[ethyl(propyl)sulfamoyl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide
SMILESC=C/C=C\C(=C/C=C)NC(=O)C(/C=C\C)=C/C(=C\C)S(=O)(=O)N(CC)CCC
InChIInChI=1S/C22H32N2O3S/c1-7-13-16-20(15-9-3)23-22(25)19(14-8-2)18-21(11-5)28(26,27)24(12-6)17-10-4/h7-9,11,13-16,18H,1,3,10,12,17H2,2,4-6H3,(H,23,25)/b14-8-,16-13-,19-18+,20-15+,21-11+
InChIKeyCPDUQMHTSIKPTJ-YPFVKNKASA-N
XLogP4.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E,4E)-4-[ethyl(propyl)sulfamoyl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide 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 (2E,4E)-4-[ethyl(propyl)sulfamoyl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-4-[ethyl(propyl)sulfamoyl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide (CID 130443944) is (2E,4E)-4-[ethyl(propyl)sulfamoyl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-4-[ethyl(propyl)sulfamoyl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-4-[ethyl(propyl)sulfamoyl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide is C=C/C=C\C(=C/C=C)NC(=O)C(/C=C\C)=C/C(=C\C)S(=O)(=O)N(CC)CCC.
What is the InChIKey of (2E,4E)-4-[ethyl(propyl)sulfamoyl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide?
The InChIKey is CPDUQMHTSIKPTJ-YPFVKNKASA-N. The full InChI is InChI=1S/C22H32N2O3S/c1-7-13-16-20(15-9-3)23-22(25)19(14-8-2)18-21(11-5)28(26,27)24(12-6)17-10-4/h7-9,11,13-16,18H,1,3,10,12,17H2,2,4-6H3,(H,23,25)/b14-8-,16-13-,19-18+,20-15+,21-11+.
What are the key properties of (2E,4E)-4-[ethyl(propyl)sulfamoyl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide?
(2E,4E)-4-[ethyl(propyl)sulfamoyl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide has a molecular weight of 404.58 g/mol, XLogP of 4.38, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-[ethyl(propyl)sulfamoyl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide is sourced from PubChem (CID 130443944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).