N-[2-(4-sulfamoylphenyl)ethyl]pentanamide

C13H20N2O3S — CID 2209143

IUPACN-[2-(4-sulfamoylphenyl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-2-3-4-13(16)15-10-9-11-5-7-12(8-6-11)19(14,17)18/h5-8H,2-4,9-10H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyJNTOAQVMERFDAK-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.18
Rot. Bonds7

About N-[2-(4-sulfamoylphenyl)ethyl]pentanamide

N-[2-(4-sulfamoylphenyl)ethyl]pentanamide (PubChem CID 2209143) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]pentanamide
PubChem CID2209143
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-2-3-4-13(16)15-10-9-11-5-7-12(8-6-11)19(14,17)18/h5-8H,2-4,9-10H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyJNTOAQVMERFDAK-UHFFFAOYSA-N
XLogP1.18
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]pentanamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]pentanamide (CID 2209143) is N-[2-(4-sulfamoylphenyl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]pentanamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]pentanamide is CCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]pentanamide?
The InChIKey is JNTOAQVMERFDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-2-3-4-13(16)15-10-9-11-5-7-12(8-6-11)19(14,17)18/h5-8H,2-4,9-10H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]pentanamide?
N-[2-(4-sulfamoylphenyl)ethyl]pentanamide has a molecular weight of 284.38 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]pentanamide is sourced from PubChem (CID 2209143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).