2-ethyl-3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide

C14H22N2O3S — CID 46236927

IUPAC2-ethyl-3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide
SMILESCCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)(C)C
InChIInChI=1S/C14H22N2O3S/c1-5-12(14(2,3)4)13(17)16-10-6-8-11(9-7-10)20(15,18)19/h6-9,12H,5H2,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyMPEJTVDXBYIUJC-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.34
Rot. Bonds4

About 2-ethyl-3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide

2-ethyl-3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide (PubChem CID 46236927) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-ethyl-3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide.

Molecular Properties

Compound Name2-ethyl-3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide
PubChem CID46236927
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-ethyl-3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide
SMILESCCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)(C)C
InChIInChI=1S/C14H22N2O3S/c1-5-12(14(2,3)4)13(17)16-10-6-8-11(9-7-10)20(15,18)19/h6-9,12H,5H2,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyMPEJTVDXBYIUJC-UHFFFAOYSA-N
XLogP2.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide?
The IUPAC name of 2-ethyl-3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide (CID 46236927) is 2-ethyl-3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide.
What is the SMILES notation for 2-ethyl-3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide?
The canonical SMILES for 2-ethyl-3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide is CCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)(C)C.
What is the InChIKey of 2-ethyl-3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide?
The InChIKey is MPEJTVDXBYIUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-12(14(2,3)4)13(17)16-10-6-8-11(9-7-10)20(15,18)19/h6-9,12H,5H2,1-4H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-ethyl-3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide?
2-ethyl-3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide has a molecular weight of 298.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide is sourced from PubChem (CID 46236927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).