(2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide

C15H24N2O3S — CID 53308637

IUPAC(2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide
SMILESCCC[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)(C)C
InChIInChI=1S/C15H24N2O3S/c1-5-6-13(15(2,3)4)14(18)17-11-7-9-12(10-8-11)21(16,19)20/h7-10,13H,5-6H2,1-4H3,(H,17,18)(H2,16,19,20)/t13-/m1/s1
InChIKeyWYSWMHFXVFMYFI-CYBMUJFWSA-N
MW312.44 g/mol
LogP2.73
Rot. Bonds5

About (2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide

(2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide (PubChem CID 53308637) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is (2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide
PubChem CID53308637
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name(2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide
SMILESCCC[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)(C)C
InChIInChI=1S/C15H24N2O3S/c1-5-6-13(15(2,3)4)14(18)17-11-7-9-12(10-8-11)21(16,19)20/h7-10,13H,5-6H2,1-4H3,(H,17,18)(H2,16,19,20)/t13-/m1/s1
InChIKeyWYSWMHFXVFMYFI-CYBMUJFWSA-N
XLogP2.73
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide?
The IUPAC name of (2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide (CID 53308637) is (2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide.
What is the SMILES notation for (2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide?
The canonical SMILES for (2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide is CCC[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)(C)C.
What is the InChIKey of (2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide?
The InChIKey is WYSWMHFXVFMYFI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-6-13(15(2,3)4)14(18)17-11-7-9-12(10-8-11)21(16,19)20/h7-10,13H,5-6H2,1-4H3,(H,17,18)(H2,16,19,20)/t13-/m1/s1.
What are the key properties of (2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide?
(2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide has a molecular weight of 312.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide is sourced from PubChem (CID 53308637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).