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

C23H32N2O3S — CID 142727594

IUPACN-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-ethyl-5-phenylpentanamide
SMILESCCN(CCc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)CCCCc1ccccc1
InChIInChI=1S/C23H32N2O3S/c1-4-25(23(26)13-9-8-12-20-10-6-5-7-11-20)19-18-21-14-16-22(17-15-21)29(27,28)24(2)3/h5-7,10-11,14-17H,4,8-9,12-13,18-19H2,1-3H3
InChIKeyBIKAYSQZWBYUEO-UHFFFAOYSA-N
MW416.59 g/mol
LogP3.74
Rot. Bonds11

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

N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-ethyl-5-phenylpentanamide (PubChem CID 142727594) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-ethyl-5-phenylpentanamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-ethyl-5-phenylpentanamide
PubChem CID142727594
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC NameN-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-ethyl-5-phenylpentanamide
SMILESCCN(CCc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)CCCCc1ccccc1
InChIInChI=1S/C23H32N2O3S/c1-4-25(23(26)13-9-8-12-20-10-6-5-7-11-20)19-18-21-14-16-22(17-15-21)29(27,28)24(2)3/h5-7,10-11,14-17H,4,8-9,12-13,18-19H2,1-3H3
InChIKeyBIKAYSQZWBYUEO-UHFFFAOYSA-N
XLogP3.74
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 53.74
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-ethyl-5-phenylpentanamide?
The IUPAC name of N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-ethyl-5-phenylpentanamide (CID 142727594) is N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-ethyl-5-phenylpentanamide.
What is the SMILES notation for N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-ethyl-5-phenylpentanamide?
The canonical SMILES for N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-ethyl-5-phenylpentanamide is CCN(CCc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)CCCCc1ccccc1.
What is the InChIKey of N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-ethyl-5-phenylpentanamide?
The InChIKey is BIKAYSQZWBYUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-4-25(23(26)13-9-8-12-20-10-6-5-7-11-20)19-18-21-14-16-22(17-15-21)29(27,28)24(2)3/h5-7,10-11,14-17H,4,8-9,12-13,18-19H2,1-3H3.
What are the key properties of N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-ethyl-5-phenylpentanamide?
N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-ethyl-5-phenylpentanamide has a molecular weight of 416.59 g/mol, XLogP of 3.74, 11 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-ethyl-5-phenylpentanamide is sourced from PubChem (CID 142727594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).