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

C25H32N2O4S — CID 4942095

IUPACN-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-hexoxybenzamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OCCCCCC)cc1
InChIInChI=1S/C25H32N2O4S/c1-4-7-8-11-20-31-24-13-10-9-12-23(24)25(28)26-21-14-16-22(17-15-21)32(29,30)27(18-5-2)19-6-3/h5-6,9-10,12-17H,2-4,7-8,11,18-20H2,1H3,(H,26,28)
InChIKeyHFLRTHYDHYZADG-UHFFFAOYSA-N
MW456.61 g/mol
LogP5.26
Rot. Bonds14

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

N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-hexoxybenzamide (PubChem CID 4942095) 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]-2-hexoxybenzamide.

Molecular Properties

Compound NameN-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-hexoxybenzamide
PubChem CID4942095
Molecular FormulaC25H32N2O4S
Molecular Weight456.61 g/mol
Exact Mass456.21
IUPAC NameN-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-hexoxybenzamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OCCCCCC)cc1
InChIInChI=1S/C25H32N2O4S/c1-4-7-8-11-20-31-24-13-10-9-12-23(24)25(28)26-21-14-16-22(17-15-21)32(29,30)27(18-5-2)19-6-3/h5-6,9-10,12-17H,2-4,7-8,11,18-20H2,1H3,(H,26,28)
InChIKeyHFLRTHYDHYZADG-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]-2-(3-methylbutoxy)benzamide
CID 4943521
N-[4-(dimethylsulfamoyl)phenyl]-2-hexoxybenzamide
CID 4942085
2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 4940978
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-5-bromo-2-butoxybenzamide
CID 17350017
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-hexoxybenzamide
CID 4933660
N-[4-(dipropylsulfamoyl)phenyl]-2-propoxybenzamide
CID 4947970
N-[[4-[bis(prop-2-enyl)sulfamoyl]phenyl]carbamothioyl]-2-ethoxybenzamide
CID 4926856
N-[4-(diethylamino)phenyl]-2-hexoxybenzamide
CID 4941952
N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-hexoxybenzamide
CID 4942610
5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-hexoxybenzamide
CID 17343418
2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642652
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-hexoxybenzamide?
The IUPAC name of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-hexoxybenzamide (CID 4942095) is N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-hexoxybenzamide.
What is the SMILES notation for N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-hexoxybenzamide?
The canonical SMILES for N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-hexoxybenzamide is C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OCCCCCC)cc1.
What is the InChIKey of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-hexoxybenzamide?
The InChIKey is HFLRTHYDHYZADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4S/c1-4-7-8-11-20-31-24-13-10-9-12-23(24)25(28)26-21-14-16-22(17-15-21)32(29,30)27(18-5-2)19-6-3/h5-6,9-10,12-17H,2-4,7-8,11,18-20H2,1H3,(H,26,28).
What are the key properties of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-hexoxybenzamide?
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-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]-2-hexoxybenzamide is sourced from PubChem (CID 4942095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).