N-[(3E,5E)-6-sulfamoylhepta-3,5-dien-3-yl]acetamide

C9H16N2O3S — CID 134267842

IUPACN-[(3E,5E)-6-sulfamoylhepta-3,5-dien-3-yl]acetamide
SMILESCC/C(=C\C=C(/C)S(N)(=O)=O)NC(C)=O
InChIInChI=1S/C9H16N2O3S/c1-4-9(11-8(3)12)6-5-7(2)15(10,13)14/h5-6H,4H2,1-3H3,(H,11,12)(H2,10,13,14)/b7-5+,9-6+
InChIKeyIBLKLDOMCPQDOF-PDTNFJSOSA-N
MW232.30 g/mol
LogP0.61
Rot. Bonds4

About N-[(3E,5E)-6-sulfamoylhepta-3,5-dien-3-yl]acetamide

N-[(3E,5E)-6-sulfamoylhepta-3,5-dien-3-yl]acetamide (PubChem CID 134267842) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-[(3E,5E)-6-sulfamoylhepta-3,5-dien-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3E,5E)-6-sulfamoylhepta-3,5-dien-3-yl]acetamide
PubChem CID134267842
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-[(3E,5E)-6-sulfamoylhepta-3,5-dien-3-yl]acetamide
SMILESCC/C(=C\C=C(/C)S(N)(=O)=O)NC(C)=O
InChIInChI=1S/C9H16N2O3S/c1-4-9(11-8(3)12)6-5-7(2)15(10,13)14/h5-6H,4H2,1-3H3,(H,11,12)(H2,10,13,14)/b7-5+,9-6+
InChIKeyIBLKLDOMCPQDOF-PDTNFJSOSA-N
XLogP0.61
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(methylsulfamoyl)cyclohexa-1,3-dien-1-yl]acetamide
CID 71056827
2-(tert-butylsulfamoyl)-N-cyclohexa-1,3-dien-1-ylacetamide
CID 143897839
4-Acetamidocyclohexa-1,3-diene-1-sulfinate
CID 163511464
N-(4-sulfamoylcyclohexa-1,5-dien-1-yl)butanamide
CID 164106116
N-(4-sulfamoylcyclohepta-1,4-dien-1-yl)acetamide
CID 142858024
4-Acetamidocyclohexa-1,3-diene-1-sulfinic acid
CID 163511465

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5E)-6-sulfamoylhepta-3,5-dien-3-yl]acetamide?
The IUPAC name of N-[(3E,5E)-6-sulfamoylhepta-3,5-dien-3-yl]acetamide (CID 134267842) is N-[(3E,5E)-6-sulfamoylhepta-3,5-dien-3-yl]acetamide.
What is the SMILES notation for N-[(3E,5E)-6-sulfamoylhepta-3,5-dien-3-yl]acetamide?
The canonical SMILES for N-[(3E,5E)-6-sulfamoylhepta-3,5-dien-3-yl]acetamide is CC/C(=C\C=C(/C)S(N)(=O)=O)NC(C)=O.
What is the InChIKey of N-[(3E,5E)-6-sulfamoylhepta-3,5-dien-3-yl]acetamide?
The InChIKey is IBLKLDOMCPQDOF-PDTNFJSOSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-4-9(11-8(3)12)6-5-7(2)15(10,13)14/h5-6H,4H2,1-3H3,(H,11,12)(H2,10,13,14)/b7-5+,9-6+.
What are the key properties of N-[(3E,5E)-6-sulfamoylhepta-3,5-dien-3-yl]acetamide?
N-[(3E,5E)-6-sulfamoylhepta-3,5-dien-3-yl]acetamide has a molecular weight of 232.30 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E)-6-sulfamoylhepta-3,5-dien-3-yl]acetamide is sourced from PubChem (CID 134267842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).