N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-hexoxybenzamide

C25H32N2O4S — CID 4933660

IUPACN-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-hexoxybenzamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccc(OCCCCCC)cc2)cc1
InChIInChI=1S/C25H32N2O4S/c1-4-7-8-9-20-31-23-14-10-21(11-15-23)25(28)26-22-12-16-24(17-13-22)32(29,30)27(18-5-2)19-6-3/h5-6,10-17H,2-4,7-9,18-20H2,1H3,(H,26,28)
InChIKeyJGMBVTFKSANCSV-UHFFFAOYSA-N
MW456.61 g/mol
LogP5.26
Rot. Bonds14

About N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-hexoxybenzamide

N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-hexoxybenzamide (PubChem CID 4933660) has the molecular formula C25H32N2O4S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-hexoxybenzamide.

Molecular Properties

Compound NameN-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-hexoxybenzamide
PubChem CID4933660
Molecular FormulaC25H32N2O4S
Molecular Weight456.61 g/mol
Exact Mass456.21
IUPAC NameN-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-hexoxybenzamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccc(OCCCCCC)cc2)cc1
InChIInChI=1S/C25H32N2O4S/c1-4-7-8-9-20-31-23-14-10-21(11-15-23)25(28)26-22-12-16-24(17-13-22)32(29,30)27(18-5-2)19-6-3/h5-6,10-17H,2-4,7-9,18-20H2,1H3,(H,26,28)
InChIKeyJGMBVTFKSANCSV-UHFFFAOYSA-N
XLogP5.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.61
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[bis(prop-2-enyl)sulfamoyl]phenyl]carbamothioyl]-4-pentoxybenzamide
CID 4935751
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-hexoxybenzamide
CID 4942095
4-heptoxy-N-(4-sulfamoylphenyl)benzamide
CID 4950602
4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 4950690
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-bromo-4-propoxybenzamide
CID 17342760
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-5-bromo-2-butoxybenzamide
CID 17350017
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
N-[4-(dibutylsulfamoyl)phenyl]-4-methoxybenzamide
CID 4190675
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide
CID 17160198
N-(4-cyanophenyl)-4-decoxybenzamide
CID 101059552
N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide
CID 101044220
N-[4-(tert-butylsulfamoyl)phenyl]-4-pentoxybenzamide
CID 4935093

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-hexoxybenzamide?
The IUPAC name of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-hexoxybenzamide (CID 4933660) is N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-hexoxybenzamide.
What is the SMILES notation for N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-hexoxybenzamide?
The canonical SMILES for N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-hexoxybenzamide is C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccc(OCCCCCC)cc2)cc1.
What is the InChIKey of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-hexoxybenzamide?
The InChIKey is JGMBVTFKSANCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4S/c1-4-7-8-9-20-31-23-14-10-21(11-15-23)25(28)26-22-12-16-24(17-13-22)32(29,30)27(18-5-2)19-6-3/h5-6,10-17H,2-4,7-9,18-20H2,1H3,(H,26,28).
What are the key properties of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-hexoxybenzamide?
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-hexoxybenzamide has a molecular weight of 456.61 g/mol, XLogP of 5.26, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-hexoxybenzamide is sourced from PubChem (CID 4933660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).