2-(4-tert-butylphenoxy)-N-[2-(dimethylsulfamoyl)phenyl]propanamide

C21H28N2O4S — CID 55984335

IUPAC2-(4-tert-butylphenoxy)-N-[2-(dimethylsulfamoyl)phenyl]propanamide
SMILESCC(C(=O)NC1=CC=CC=C1S(=O)(=O)N(C)C)OC2=CC=C(C=C2)C(C)(C)C
InChIInChI=1S/C21H28N2O4S/c1-15(27-17-13-11-16(12-14-17)21(2,3)4)20(24)22-18-9-7-8-10-19(18)28(25,26)23(5)6/h7-15H,1-6H3,(H,22,24)
InChIKeyRCPUFUDRUNCATL-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.60
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-[2-(dimethylsulfamoyl)phenyl]propanamide

2-(4-tert-butylphenoxy)-N-[2-(dimethylsulfamoyl)phenyl]propanamide (PubChem CID 55984335) has the molecular formula C21H28N2O4S and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[2-(dimethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[2-(dimethylsulfamoyl)phenyl]propanamide
PubChem CID55984335
Molecular FormulaC21H28N2O4S
Molecular Weight404.50 g/mol
Exact Mass404.18
IUPAC Name2-(4-tert-butylphenoxy)-N-[2-(dimethylsulfamoyl)phenyl]propanamide
SMILESCC(C(=O)NC1=CC=CC=C1S(=O)(=O)N(C)C)OC2=CC=C(C=C2)C(C)(C)C
InChIInChI=1S/C21H28N2O4S/c1-15(27-17-13-11-16(12-14-17)21(2,3)4)20(24)22-18-9-7-8-10-19(18)28(25,26)23(5)6/h7-15H,1-6H3,(H,22,24)
InChIKeyRCPUFUDRUNCATL-UHFFFAOYSA-N
XLogP4.60
TPSA84.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity613

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(dimethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(dimethylsulfamoyl)phenyl]propanamide (CID 55984335) is 2-(4-tert-butylphenoxy)-N-[2-(dimethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[2-(dimethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[2-(dimethylsulfamoyl)phenyl]propanamide is CC(C(=O)NC1=CC=CC=C1S(=O)(=O)N(C)C)OC2=CC=C(C=C2)C(C)(C)C.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[2-(dimethylsulfamoyl)phenyl]propanamide?
The InChIKey is RCPUFUDRUNCATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-15(27-17-13-11-16(12-14-17)21(2,3)4)20(24)22-18-9-7-8-10-19(18)28(25,26)23(5)6/h7-15H,1-6H3,(H,22,24).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[2-(dimethylsulfamoyl)phenyl]propanamide?
2-(4-tert-butylphenoxy)-N-[2-(dimethylsulfamoyl)phenyl]propanamide has a molecular weight of 404.50 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[2-(dimethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 55984335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).