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

C22H30N2O3S — CID 118398443

IUPACN-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-5-phenylpentanamide
SMILESCCN(Cc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)CCCCc1ccccc1
InChIInChI=1S/C22H30N2O3S/c1-4-24(22(25)13-9-8-12-19-10-6-5-7-11-19)18-20-14-16-21(17-15-20)28(26,27)23(2)3/h5-7,10-11,14-17H,4,8-9,12-13,18H2,1-3H3
InChIKeyRJBGOUSXGQGEMG-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.70
Rot. Bonds10

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

N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-5-phenylpentanamide (PubChem CID 118398443) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-5-phenylpentanamide.

Molecular Properties

Compound NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-5-phenylpentanamide
PubChem CID118398443
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-5-phenylpentanamide
SMILESCCN(Cc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)CCCCc1ccccc1
InChIInChI=1S/C22H30N2O3S/c1-4-24(22(25)13-9-8-12-19-10-6-5-7-11-19)18-20-14-16-21(17-15-20)28(26,27)23(2)3/h5-7,10-11,14-17H,4,8-9,12-13,18H2,1-3H3
InChIKeyRJBGOUSXGQGEMG-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
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-ethyl-5-phenylpentanamide?
The IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-5-phenylpentanamide (CID 118398443) is N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-5-phenylpentanamide.
What is the SMILES notation for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-5-phenylpentanamide?
The canonical SMILES for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-5-phenylpentanamide is CCN(Cc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)CCCCc1ccccc1.
What is the InChIKey of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-5-phenylpentanamide?
The InChIKey is RJBGOUSXGQGEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-4-24(22(25)13-9-8-12-19-10-6-5-7-11-19)18-20-14-16-21(17-15-20)28(26,27)23(2)3/h5-7,10-11,14-17H,4,8-9,12-13,18H2,1-3H3.
What are the key properties of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-5-phenylpentanamide?
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-5-phenylpentanamide has a molecular weight of 402.56 g/mol, XLogP of 3.70, 10 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-ethyl-5-phenylpentanamide is sourced from PubChem (CID 118398443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).