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

C22H30N2O3S — CID 142727622

IUPACN-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-methyl-5-phenylpentanamide
SMILESCN(CCc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)CCCCc1ccccc1
InChIInChI=1S/C22H30N2O3S/c1-23(2)28(26,27)21-15-13-20(14-16-21)17-18-24(3)22(25)12-8-7-11-19-9-5-4-6-10-19/h4-6,9-10,13-16H,7-8,11-12,17-18H2,1-3H3
InChIKeyCRTDWDPFEPVCGC-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.35
Rot. Bonds10

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

N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-methyl-5-phenylpentanamide (PubChem CID 142727622) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-methyl-5-phenylpentanamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-methyl-5-phenylpentanamide
PubChem CID142727622
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-methyl-5-phenylpentanamide
SMILESCN(CCc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)CCCCc1ccccc1
InChIInChI=1S/C22H30N2O3S/c1-23(2)28(26,27)21-15-13-20(14-16-21)17-18-24(3)22(25)12-8-7-11-19-9-5-4-6-10-19/h4-6,9-10,13-16H,7-8,11-12,17-18H2,1-3H3
InChIKeyCRTDWDPFEPVCGC-UHFFFAOYSA-N
XLogP3.35
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.35
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-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-methyl-5-phenylpentanamide?
The IUPAC name of N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-methyl-5-phenylpentanamide (CID 142727622) is N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-methyl-5-phenylpentanamide.
What is the SMILES notation for N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-methyl-5-phenylpentanamide?
The canonical SMILES for N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-methyl-5-phenylpentanamide is CN(CCc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)CCCCc1ccccc1.
What is the InChIKey of N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-methyl-5-phenylpentanamide?
The InChIKey is CRTDWDPFEPVCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-23(2)28(26,27)21-15-13-20(14-16-21)17-18-24(3)22(25)12-8-7-11-19-9-5-4-6-10-19/h4-6,9-10,13-16H,7-8,11-12,17-18H2,1-3H3.
What are the key properties of N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-methyl-5-phenylpentanamide?
N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-methyl-5-phenylpentanamide has a molecular weight of 402.56 g/mol, XLogP of 3.35, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-methyl-5-phenylpentanamide is sourced from PubChem (CID 142727622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).