N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-methyl-5-phenylpentanamide

C21H28N2O3S — CID 142727596

IUPACN-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-methyl-5-phenylpentanamide
SMILESCN(Cc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)CCCCc1ccccc1
InChIInChI=1S/C21H28N2O3S/c1-22(2)27(25,26)20-15-13-19(14-16-20)17-23(3)21(24)12-8-7-11-18-9-5-4-6-10-18/h4-6,9-10,13-16H,7-8,11-12,17H2,1-3H3
InChIKeyZLQDHDLQVIGXOG-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.31
Rot. Bonds9

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

N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-methyl-5-phenylpentanamide (PubChem CID 142727596) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-methyl-5-phenylpentanamide.

Molecular Properties

Compound NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-methyl-5-phenylpentanamide
PubChem CID142727596
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-methyl-5-phenylpentanamide
SMILESCN(Cc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)CCCCc1ccccc1
InChIInChI=1S/C21H28N2O3S/c1-22(2)27(25,26)20-15-13-19(14-16-20)17-23(3)21(24)12-8-7-11-18-9-5-4-6-10-18/h4-6,9-10,13-16H,7-8,11-12,17H2,1-3H3
InChIKeyZLQDHDLQVIGXOG-UHFFFAOYSA-N
XLogP3.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-methyl-5-phenylpentanamide?
The IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-methyl-5-phenylpentanamide (CID 142727596) is N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-methyl-5-phenylpentanamide.
What is the SMILES notation for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-methyl-5-phenylpentanamide?
The canonical SMILES for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-methyl-5-phenylpentanamide is CN(Cc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)CCCCc1ccccc1.
What is the InChIKey of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-methyl-5-phenylpentanamide?
The InChIKey is ZLQDHDLQVIGXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-22(2)27(25,26)20-15-13-19(14-16-20)17-23(3)21(24)12-8-7-11-18-9-5-4-6-10-18/h4-6,9-10,13-16H,7-8,11-12,17H2,1-3H3.
What are the key properties of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-methyl-5-phenylpentanamide?
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-methyl-5-phenylpentanamide has a molecular weight of 388.53 g/mol, XLogP of 3.31, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-methyl-5-phenylpentanamide is sourced from PubChem (CID 142727596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).