N-[4-(hexylsulfamoyl)phenyl]-2-phenoxybutanamide

C22H30N2O4S — CID 5067707

IUPACN-[4-(hexylsulfamoyl)phenyl]-2-phenoxybutanamide
SMILESCCCCCCNS(=O)(=O)c1ccc(NC(=O)C(CC)Oc2ccccc2)cc1
InChIInChI=1S/C22H30N2O4S/c1-3-5-6-10-17-23-29(26,27)20-15-13-18(14-16-20)24-22(25)21(4-2)28-19-11-8-7-9-12-19/h7-9,11-16,21,23H,3-6,10,17H2,1-2H3,(H,24,25)
InChIKeyFVVRZILQZGIUDX-UHFFFAOYSA-N
MW418.56 g/mol
LogP4.34
Rot. Bonds12

About N-[4-(hexylsulfamoyl)phenyl]-2-phenoxybutanamide

N-[4-(hexylsulfamoyl)phenyl]-2-phenoxybutanamide (PubChem CID 5067707) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[4-(hexylsulfamoyl)phenyl]-2-phenoxybutanamide.

Molecular Properties

Compound NameN-[4-(hexylsulfamoyl)phenyl]-2-phenoxybutanamide
PubChem CID5067707
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-[4-(hexylsulfamoyl)phenyl]-2-phenoxybutanamide
SMILESCCCCCCNS(=O)(=O)c1ccc(NC(=O)C(CC)Oc2ccccc2)cc1
InChIInChI=1S/C22H30N2O4S/c1-3-5-6-10-17-23-29(26,27)20-15-13-18(14-16-20)24-22(25)21(4-2)28-19-11-8-7-9-12-19/h7-9,11-16,21,23H,3-6,10,17H2,1-2H3,(H,24,25)
InChIKeyFVVRZILQZGIUDX-UHFFFAOYSA-N
XLogP4.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.34
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-[4-(butylsulfamoyl)phenyl]-2-phenoxybutanamide
CID 2947116
2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 3354024
N-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxybutanamide
CID 132672040
2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide
CID 4928389
(2R)-N-(4-iodophenyl)-2-phenoxybutanamide
CID 1369955
2-phenoxy-N-phenylhexanamide
CID 70624716
2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
N-[4-(hexylsulfamoyl)phenyl]-2-iodobenzamide
CID 4251063
N-tridecylbenzenesulfonamide
CID 3514704
(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide
CID 3643695

Frequently Asked Questions

What is the IUPAC name of N-[4-(hexylsulfamoyl)phenyl]-2-phenoxybutanamide?
The IUPAC name of N-[4-(hexylsulfamoyl)phenyl]-2-phenoxybutanamide (CID 5067707) is N-[4-(hexylsulfamoyl)phenyl]-2-phenoxybutanamide.
What is the SMILES notation for N-[4-(hexylsulfamoyl)phenyl]-2-phenoxybutanamide?
The canonical SMILES for N-[4-(hexylsulfamoyl)phenyl]-2-phenoxybutanamide is CCCCCCNS(=O)(=O)c1ccc(NC(=O)C(CC)Oc2ccccc2)cc1.
What is the InChIKey of N-[4-(hexylsulfamoyl)phenyl]-2-phenoxybutanamide?
The InChIKey is FVVRZILQZGIUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-3-5-6-10-17-23-29(26,27)20-15-13-18(14-16-20)24-22(25)21(4-2)28-19-11-8-7-9-12-19/h7-9,11-16,21,23H,3-6,10,17H2,1-2H3,(H,24,25).
What are the key properties of N-[4-(hexylsulfamoyl)phenyl]-2-phenoxybutanamide?
N-[4-(hexylsulfamoyl)phenyl]-2-phenoxybutanamide has a molecular weight of 418.56 g/mol, XLogP of 4.34, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hexylsulfamoyl)phenyl]-2-phenoxybutanamide is sourced from PubChem (CID 5067707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).