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

C21H28N2O3S — CID 142727579

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

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

N-methyl-N-[2-[4-(methylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide (PubChem CID 142727579) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-methyl-N-[2-[4-(methylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide.

Molecular Properties

Compound NameN-methyl-N-[2-[4-(methylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide
PubChem CID142727579
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-methyl-N-[2-[4-(methylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide
SMILESCNS(=O)(=O)c1ccc(CCN(C)C(=O)CCCCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-22-27(25,26)20-14-12-19(13-15-20)16-17-23(2)21(24)11-7-6-10-18-8-4-3-5-9-18/h3-5,8-9,12-15,22H,6-7,10-11,16-17H2,1-2H3
InChIKeyFZGKYJVBYIDBJI-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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-(methylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide?
The IUPAC name of N-methyl-N-[2-[4-(methylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide (CID 142727579) is N-methyl-N-[2-[4-(methylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide.
What is the SMILES notation for N-methyl-N-[2-[4-(methylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide?
The canonical SMILES for N-methyl-N-[2-[4-(methylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide is CNS(=O)(=O)c1ccc(CCN(C)C(=O)CCCCc2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[2-[4-(methylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide?
The InChIKey is FZGKYJVBYIDBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-22-27(25,26)20-14-12-19(13-15-20)16-17-23(2)21(24)11-7-6-10-18-8-4-3-5-9-18/h3-5,8-9,12-15,22H,6-7,10-11,16-17H2,1-2H3.
What are the key properties of N-methyl-N-[2-[4-(methylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide?
N-methyl-N-[2-[4-(methylsulfamoyl)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-methyl-N-[2-[4-(methylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide is sourced from PubChem (CID 142727579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).