2-(4-tert-butylphenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide

C21H28N2O4S — CID 84929872

IUPAC2-(4-tert-butylphenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1cc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)ccc1C
InChIInChI=1S/C21H28N2O4S/c1-14-7-10-17(13-19(14)28(25,26)22-6)23-20(24)15(2)27-18-11-8-16(9-12-18)21(3,4)5/h7-13,15,22H,1-6H3,(H,23,24)
InChIKeyRRSHXBDSNZDTDC-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.61
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide

2-(4-tert-butylphenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide (PubChem CID 84929872) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
PubChem CID84929872
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-(4-tert-butylphenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1cc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)ccc1C
InChIInChI=1S/C21H28N2O4S/c1-14-7-10-17(13-19(14)28(25,26)22-6)23-20(24)15(2)27-18-11-8-16(9-12-18)21(3,4)5/h7-13,15,22H,1-6H3,(H,23,24)
InChIKeyRRSHXBDSNZDTDC-UHFFFAOYSA-N
XLogP3.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9141292
N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266599
(2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-(4-methylphenoxy)propanamide
CID 40785964
(2S)-2-(4-tert-butylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide
CID 26199002
4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide
CID 43888226
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601
(2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 973325
(2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
CID 7812070
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
CID 5138475
N-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide
CID 54781748
(2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide
CID 8572754
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide (CID 84929872) is 2-(4-tert-butylphenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1cc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)ccc1C.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is RRSHXBDSNZDTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-14-7-10-17(13-19(14)28(25,26)22-6)23-20(24)15(2)27-18-11-8-16(9-12-18)21(3,4)5/h7-13,15,22H,1-6H3,(H,23,24).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide?
2-(4-tert-butylphenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 404.53 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 84929872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).