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

C21H28N2O4S — CID 55984335

IUPAC2-(4-tert-butylphenoxy)-N-[2-(dimethylsulfamoyl)phenyl]propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1S(=O)(=O)N(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
MW404.53 g/mol
LogP3.64
Rot. Bonds6

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 404.53 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 Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-(4-tert-butylphenoxy)-N-[2-(dimethylsulfamoyl)phenyl]propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1S(=O)(=O)N(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
XLogP3.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide
CID 2216687
N-(2-benzoylphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 132661546
(2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 38005426
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-tert-butylphenoxy)propanamide
CID 78810376
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 17046233
(2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
CID 7812070
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate
CID 8984850
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-phenoxypropanamide
CID 43032566
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenoxy)propanamide
CID 42935570
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
CID 5138475
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide
CID 42904434

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(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1S(=O)(=O)N(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 404.53 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 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).