N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide

C21H28N2O3S — CID 54790596

IUPACN-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-2-3-4-8-11-21(24)23-19-12-14-20(15-13-19)27(25,26)22-17-16-18-9-6-5-7-10-18/h5-7,9-10,12-15,22H,2-4,8,11,16-17H2,1H3,(H,23,24)
InChIKeyJMXXEWIJQQQFOW-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.12
Rot. Bonds11

About N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide

N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide (PubChem CID 54790596) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide.

Molecular Properties

Compound NameN-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide
PubChem CID54790596
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-2-3-4-8-11-21(24)23-19-12-14-20(15-13-19)27(25,26)22-17-16-18-9-6-5-7-10-18/h5-7,9-10,12-15,22H,2-4,8,11,16-17H2,1H3,(H,23,24)
InChIKeyJMXXEWIJQQQFOW-UHFFFAOYSA-N
XLogP4.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(benzylsulfamoyl)phenyl]octanamide
CID 4958608
4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide
CID 17160952
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 17192480
4-oxo-4-phenyl-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide
CID 108807364
3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide
CID 18128082
N-[3-oxo-3-[4-(2-phenylethylsulfamoyl)anilino]propyl]benzamide
CID 17154573
2-(2-methylphenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 17145873
3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 108807272
7-amino-N-[4-(propylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119720435
2-cyano-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 168522081
4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4936114

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide?
The IUPAC name of N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide (CID 54790596) is N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide.
What is the SMILES notation for N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide?
The canonical SMILES for N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide is CCCCCCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide?
The InChIKey is JMXXEWIJQQQFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-2-3-4-8-11-21(24)23-19-12-14-20(15-13-19)27(25,26)22-17-16-18-9-6-5-7-10-18/h5-7,9-10,12-15,22H,2-4,8,11,16-17H2,1H3,(H,23,24).
What are the key properties of N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide?
N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide has a molecular weight of 388.53 g/mol, XLogP of 4.12, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide is sourced from PubChem (CID 54790596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).