N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(3,5-dimethylphenoxy)propanamide

C22H30N2O4S — CID 48583873

IUPACN-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NCc2ccccc2S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C22H30N2O4S/c1-16-12-17(2)14-19(13-16)28-11-10-21(25)23-15-18-8-6-7-9-20(18)29(26,27)24-22(3,4)5/h6-9,12-14,24H,10-11,15H2,1-5H3,(H,23,25)
InChIKeyHQZNEVGKSDZRQY-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.47
Rot. Bonds8

About N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(3,5-dimethylphenoxy)propanamide

N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(3,5-dimethylphenoxy)propanamide (PubChem CID 48583873) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(3,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(3,5-dimethylphenoxy)propanamide
PubChem CID48583873
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NCc2ccccc2S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C22H30N2O4S/c1-16-12-17(2)14-19(13-16)28-11-10-21(25)23-15-18-8-6-7-9-20(18)29(26,27)24-22(3,4)5/h6-9,12-14,24H,10-11,15H2,1-5H3,(H,23,25)
InChIKeyHQZNEVGKSDZRQY-UHFFFAOYSA-N
XLogP3.47
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119751202
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 48583777
N-tert-butyl-3-(3,5-dimethylphenoxy)propanamide
CID 60731427
3-(3,5-dimethylphenoxy)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 46446575
N-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide
CID 66170491
1-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-[2-(3-methylphenoxy)propyl]guanidine
CID 111686130
3-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 17034727
3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119507967
3-amino-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]benzamide
CID 119751225
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 48583634
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119751238
2-[2-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl]acetic acid
CID 119218262

Frequently Asked Questions

What is the IUPAC name of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(3,5-dimethylphenoxy)propanamide?
The IUPAC name of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(3,5-dimethylphenoxy)propanamide (CID 48583873) is N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(3,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(3,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(3,5-dimethylphenoxy)propanamide is Cc1cc(C)cc(OCCC(=O)NCc2ccccc2S(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(3,5-dimethylphenoxy)propanamide?
The InChIKey is HQZNEVGKSDZRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-16-12-17(2)14-19(13-16)28-11-10-21(25)23-15-18-8-6-7-9-20(18)29(26,27)24-22(3,4)5/h6-9,12-14,24H,10-11,15H2,1-5H3,(H,23,25).
What are the key properties of N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(3,5-dimethylphenoxy)propanamide?
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(3,5-dimethylphenoxy)propanamide has a molecular weight of 418.56 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(3,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 48583873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).