4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C19H24N2O3S — CID 990581

IUPAC4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)16-8-6-15(7-9-16)18(22)21-13-12-14-4-10-17(11-5-14)25(20,23)24/h4-11H,12-13H2,1-3H3,(H,21,22)(H2,20,23,24)
InChIKeyZPGYWZHPIGXUNA-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.60
Rot. Bonds5

About 4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 990581) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID990581
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)16-8-6-15(7-9-16)18(22)21-13-12-14-4-10-17(11-5-14)25(20,23)24/h4-11H,12-13H2,1-3H3,(H,21,22)(H2,20,23,24)
InChIKeyZPGYWZHPIGXUNA-UHFFFAOYSA-N
XLogP2.60
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 990581) is 4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is ZPGYWZHPIGXUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-19(2,3)16-8-6-15(7-9-16)18(22)21-13-12-14-4-10-17(11-5-14)25(20,23)24/h4-11H,12-13H2,1-3H3,(H,21,22)(H2,20,23,24).
What are the key properties of 4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 360.48 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 990581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).