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

C14H22N2O3S — CID 889524

IUPAC2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-3-12(4-2)14(17)16-10-9-11-5-7-13(8-6-11)20(15,18)19/h5-8,12H,3-4,9-10H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyMEBJUZYVSOMTIW-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.43
Rot. Bonds7

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

2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (PubChem CID 889524) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
PubChem CID889524
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-3-12(4-2)14(17)16-10-9-11-5-7-13(8-6-11)20(15,18)19/h5-8,12H,3-4,9-10H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyMEBJUZYVSOMTIW-UHFFFAOYSA-N
XLogP1.43
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (CID 889524) is 2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is CCC(CC)C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is MEBJUZYVSOMTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-12(4-2)14(17)16-10-9-11-5-7-13(8-6-11)20(15,18)19/h5-8,12H,3-4,9-10H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide has a molecular weight of 298.41 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 889524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).