N-[2-(hexanoylsulfamoyl)phenyl]-4-[(E)-oct-1-enyl]benzamide

C27H36N2O4S — CID 18544135

IUPACN-[2-(hexanoylsulfamoyl)phenyl]-4-[(E)-oct-1-enyl]benzamide
SMILESCCCCCC/C=C/c1ccc(C(=O)Nc2ccccc2S(=O)(=O)NC(=O)CCCCC)cc1
InChIInChI=1S/C27H36N2O4S/c1-3-5-7-8-9-11-14-22-18-20-23(21-19-22)27(31)28-24-15-12-13-16-25(24)34(32,33)29-26(30)17-10-6-4-2/h11-16,18-21H,3-10,17H2,1-2H3,(H,28,31)(H,29,30)/b14-11+
InChIKeyJTTMIQAOILFLNP-SDNWHVSQSA-N
MW484.66 g/mol
LogP6.31
Rot. Bonds14

About N-[2-(hexanoylsulfamoyl)phenyl]-4-[(E)-oct-1-enyl]benzamide

N-[2-(hexanoylsulfamoyl)phenyl]-4-[(E)-oct-1-enyl]benzamide (PubChem CID 18544135) has the molecular formula C27H36N2O4S and a molecular weight of 484.66 g/mol. Its IUPAC name is N-[2-(hexanoylsulfamoyl)phenyl]-4-[(E)-oct-1-enyl]benzamide.

Molecular Properties

Compound NameN-[2-(hexanoylsulfamoyl)phenyl]-4-[(E)-oct-1-enyl]benzamide
PubChem CID18544135
Molecular FormulaC27H36N2O4S
Molecular Weight484.66 g/mol
Exact Mass484.24
IUPAC NameN-[2-(hexanoylsulfamoyl)phenyl]-4-[(E)-oct-1-enyl]benzamide
SMILESCCCCCC/C=C/c1ccc(C(=O)Nc2ccccc2S(=O)(=O)NC(=O)CCCCC)cc1
InChIInChI=1S/C27H36N2O4S/c1-3-5-7-8-9-11-14-22-18-20-23(21-19-22)27(31)28-24-15-12-13-16-25(24)34(32,33)29-26(30)17-10-6-4-2/h11-16,18-21H,3-10,17H2,1-2H3,(H,28,31)(H,29,30)/b14-11+
InChIKeyJTTMIQAOILFLNP-SDNWHVSQSA-N
XLogP6.31
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.66
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(decanoylsulfamoyl)phenyl]-4-(2-phenylethynyl)benzamide;4-(2-phenylethynyl)-N-(2-sulfamoylphenyl)benzamide
CID 158399066
N-[2-[[(9Z,12Z)-octadeca-9,12-dienoyl]sulfamoyl]phenyl]-3-phenylmethoxybenzamide
CID 59057406
N-[2-(hexanoylsulfamoyl)phenyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzamide
CID 10303046
3-benzamido-4-[4-(fluoromethyl)anilino]-N-[2-(hexanoylsulfamoyl)phenyl]benzamide;fluoromethane
CID 143133230
4-anilino-N-[2-(hexanoylsulfamoyl)phenyl]-3-nitrobenzamide
CID 58874798
4-[2-(4-fluorophenyl)ethynyl]-N-[2-(5-oxohexanoylsulfamoyl)phenyl]benzamide
CID 10142067
N-[2-(hexanoylsulfamoyl)phenyl]-6-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 142263841
4-[(E)-non-1-enyl]benzoic acid
CID 19834795
4-[[4-[(E)-dec-1-enyl]benzoyl]amino]butanoic acid
CID 70541790
4-dec-1-enyl-N-phenylmethoxybenzamide
CID 54438023
N-[2-(2-hydroxyethyl)phenyl]-4-pent-1-enylbenzamide
CID 72790654
N-[2-(hexanoylsulfamoyl)phenyl]-3-nitro-4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]benzamide
CID 58874634

Frequently Asked Questions

What is the IUPAC name of N-[2-(hexanoylsulfamoyl)phenyl]-4-[(E)-oct-1-enyl]benzamide?
The IUPAC name of N-[2-(hexanoylsulfamoyl)phenyl]-4-[(E)-oct-1-enyl]benzamide (CID 18544135) is N-[2-(hexanoylsulfamoyl)phenyl]-4-[(E)-oct-1-enyl]benzamide.
What is the SMILES notation for N-[2-(hexanoylsulfamoyl)phenyl]-4-[(E)-oct-1-enyl]benzamide?
The canonical SMILES for N-[2-(hexanoylsulfamoyl)phenyl]-4-[(E)-oct-1-enyl]benzamide is CCCCCC/C=C/c1ccc(C(=O)Nc2ccccc2S(=O)(=O)NC(=O)CCCCC)cc1.
What is the InChIKey of N-[2-(hexanoylsulfamoyl)phenyl]-4-[(E)-oct-1-enyl]benzamide?
The InChIKey is JTTMIQAOILFLNP-SDNWHVSQSA-N. The full InChI is InChI=1S/C27H36N2O4S/c1-3-5-7-8-9-11-14-22-18-20-23(21-19-22)27(31)28-24-15-12-13-16-25(24)34(32,33)29-26(30)17-10-6-4-2/h11-16,18-21H,3-10,17H2,1-2H3,(H,28,31)(H,29,30)/b14-11+.
What are the key properties of N-[2-(hexanoylsulfamoyl)phenyl]-4-[(E)-oct-1-enyl]benzamide?
N-[2-(hexanoylsulfamoyl)phenyl]-4-[(E)-oct-1-enyl]benzamide has a molecular weight of 484.66 g/mol, XLogP of 6.31, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hexanoylsulfamoyl)phenyl]-4-[(E)-oct-1-enyl]benzamide is sourced from PubChem (CID 18544135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).