3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide

C19H24N2O4S — CID 4802672

IUPAC3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
SMILESCc1ccc(C)c(OCCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C19H24N2O4S/c1-14-5-6-15(2)18(13-14)25-12-11-19(22)20-16-7-9-17(10-8-16)26(23,24)21(3)4/h5-10,13H,11-12H2,1-4H3,(H,20,22)
InChIKeyFRNOOSVQHXTBBP-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.96
Rot. Bonds7

About 3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide

3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide (PubChem CID 4802672) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
PubChem CID4802672
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
SMILESCc1ccc(C)c(OCCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C19H24N2O4S/c1-14-5-6-15(2)18(13-14)25-12-11-19(22)20-16-7-9-17(10-8-16)26(23,24)21(3)4/h5-10,13H,11-12H2,1-4H3,(H,20,22)
InChIKeyFRNOOSVQHXTBBP-UHFFFAOYSA-N
XLogP2.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
CID 42369765
N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(2,5-dimethylphenoxy)propanamide
CID 7929037
3-(2,5-dimethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 2431427
3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide
CID 27334719
3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 7918580
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 9494987
N-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethylphenoxy)propanamide
CID 8933646
3-(3,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 8638441
N-[3-(tert-butylsulfamoyl)phenyl]-3-(2,5-dimethylphenoxy)propanamide
CID 39736119
3-(2,5-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 26914656
N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 7946465

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide (CID 4802672) is 3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide is Cc1ccc(C)c(OCCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
The InChIKey is FRNOOSVQHXTBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-14-5-6-15(2)18(13-14)25-12-11-19(22)20-16-7-9-17(10-8-16)26(23,24)21(3)4/h5-10,13H,11-12H2,1-4H3,(H,20,22).
What are the key properties of 3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide has a molecular weight of 376.48 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 4802672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).