2-ethyl-N-(4-sulfamoylphenyl)butanamide

C12H18N2O3S — CID 897592

IUPAC2-ethyl-N-(4-sulfamoylphenyl)butanamide
SMILESCCC(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-3-9(4-2)12(15)14-10-5-7-11(8-6-10)18(13,16)17/h5-9H,3-4H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyPMPTYBFGYDFLFU-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.71
Rot. Bonds5

About 2-ethyl-N-(4-sulfamoylphenyl)butanamide

2-ethyl-N-(4-sulfamoylphenyl)butanamide (PubChem CID 897592) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-ethyl-N-(4-sulfamoylphenyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(4-sulfamoylphenyl)butanamide
PubChem CID897592
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-ethyl-N-(4-sulfamoylphenyl)butanamide
SMILESCCC(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-3-9(4-2)12(15)14-10-5-7-11(8-6-10)18(13,16)17/h5-9H,3-4H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyPMPTYBFGYDFLFU-UHFFFAOYSA-N
XLogP1.71
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-sulfamoylphenyl)butanamide?
The IUPAC name of 2-ethyl-N-(4-sulfamoylphenyl)butanamide (CID 897592) is 2-ethyl-N-(4-sulfamoylphenyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(4-sulfamoylphenyl)butanamide?
The canonical SMILES for 2-ethyl-N-(4-sulfamoylphenyl)butanamide is CCC(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-ethyl-N-(4-sulfamoylphenyl)butanamide?
The InChIKey is PMPTYBFGYDFLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-9(4-2)12(15)14-10-5-7-11(8-6-10)18(13,16)17/h5-9H,3-4H2,1-2H3,(H,14,15)(H2,13,16,17).
What are the key properties of 2-ethyl-N-(4-sulfamoylphenyl)butanamide?
2-ethyl-N-(4-sulfamoylphenyl)butanamide has a molecular weight of 270.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-sulfamoylphenyl)butanamide is sourced from PubChem (CID 897592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).