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

C21H28N2O4S — CID 39736119

IUPACN-[3-(tert-butylsulfamoyl)phenyl]-3-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OCCC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C21H28N2O4S/c1-15-9-10-16(2)19(13-15)27-12-11-20(24)22-17-7-6-8-18(14-17)28(25,26)23-21(3,4)5/h6-10,13-14,23H,11-12H2,1-5H3,(H,22,24)
InChIKeyBIMJIPICOULOKN-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.79
Rot. Bonds7

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

N-[3-(tert-butylsulfamoyl)phenyl]-3-(2,5-dimethylphenoxy)propanamide (PubChem CID 39736119) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)phenyl]-3-(2,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfamoyl)phenyl]-3-(2,5-dimethylphenoxy)propanamide
PubChem CID39736119
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[3-(tert-butylsulfamoyl)phenyl]-3-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OCCC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C21H28N2O4S/c1-15-9-10-16(2)19(13-15)27-12-11-20(24)22-17-7-6-8-18(14-17)28(25,26)23-21(3,4)5/h6-10,13-14,23H,11-12H2,1-5H3,(H,22,24)
InChIKeyBIMJIPICOULOKN-UHFFFAOYSA-N
XLogP3.79
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide
CID 27334719
N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 7946465
3-(2,5-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 26914656
N-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 16790811
methyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate
CID 26240710
3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 4802672
N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 9108470
3-(2,5-dimethylphenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide
CID 4148036
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide
CID 24639796
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 9108432
N-[3-(tert-butylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 9108242

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-3-(2,5-dimethylphenoxy)propanamide?
The IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]-3-(2,5-dimethylphenoxy)propanamide (CID 39736119) is N-[3-(tert-butylsulfamoyl)phenyl]-3-(2,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[3-(tert-butylsulfamoyl)phenyl]-3-(2,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-[3-(tert-butylsulfamoyl)phenyl]-3-(2,5-dimethylphenoxy)propanamide is Cc1ccc(C)c(OCCC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c1.
What is the InChIKey of N-[3-(tert-butylsulfamoyl)phenyl]-3-(2,5-dimethylphenoxy)propanamide?
The InChIKey is BIMJIPICOULOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-15-9-10-16(2)19(13-15)27-12-11-20(24)22-17-7-6-8-18(14-17)28(25,26)23-21(3,4)5/h6-10,13-14,23H,11-12H2,1-5H3,(H,22,24).
What are the key properties of N-[3-(tert-butylsulfamoyl)phenyl]-3-(2,5-dimethylphenoxy)propanamide?
N-[3-(tert-butylsulfamoyl)phenyl]-3-(2,5-dimethylphenoxy)propanamide has a molecular weight of 404.53 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfamoyl)phenyl]-3-(2,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 39736119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).