N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide

C21H28N2O3S — CID 142727630

IUPACN-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide
SMILESCN(C)S(=O)(=O)c1ccc(CCNC(=O)CCCCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-23(2)27(25,26)20-14-12-19(13-15-20)16-17-22-21(24)11-7-6-10-18-8-4-3-5-9-18/h3-5,8-9,12-15H,6-7,10-11,16-17H2,1-2H3,(H,22,24)
InChIKeyVDSIICKIXYWOMW-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.01
Rot. Bonds10

About N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide

N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide (PubChem CID 142727630) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide
PubChem CID142727630
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide
SMILESCN(C)S(=O)(=O)c1ccc(CCNC(=O)CCCCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-23(2)27(25,26)20-14-12-19(13-15-20)16-17-22-21(24)11-7-6-10-18-8-4-3-5-9-18/h3-5,8-9,12-15H,6-7,10-11,16-17H2,1-2H3,(H,22,24)
InChIKeyVDSIICKIXYWOMW-UHFFFAOYSA-N
XLogP3.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(dimethylsulfamoyl)phenyl]-N-(2-phenylethyl)acetamide
CID 110674498
3-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-1-(3-phenylpropyl)urea
CID 142727616
N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-phenylpentanamide
CID 110415332
4-[4-oxo-4-(2-phenylethylamino)butyl]benzenesulfonic acid
CID 23037515
5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide
CID 55752390
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N-[2-(2-methylphenyl)ethyl]-5-phenylpentanamide
CID 118398399
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111134253
1-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(3-phenylpropyl)-1-propan-2-ylurea
CID 118398387
5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 118398571
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
N-(4-phenylbutyl)hexanamide
CID 4985988

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide?
The IUPAC name of N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide (CID 142727630) is N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide.
What is the SMILES notation for N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide?
The canonical SMILES for N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide is CN(C)S(=O)(=O)c1ccc(CCNC(=O)CCCCc2ccccc2)cc1.
What is the InChIKey of N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide?
The InChIKey is VDSIICKIXYWOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-23(2)27(25,26)20-14-12-19(13-15-20)16-17-22-21(24)11-7-6-10-18-8-4-3-5-9-18/h3-5,8-9,12-15H,6-7,10-11,16-17H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide?
N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide has a molecular weight of 388.53 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide is sourced from PubChem (CID 142727630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).