2-(3,4-dimethylphenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]propanamide

C21H28N2O5S — CID 133240516

IUPAC2-(3,4-dimethylphenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]propanamide
SMILESCc1ccc(OC(C)C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1C
InChIInChI=1S/C21H28N2O5S/c1-15-6-7-19(14-16(15)2)28-17(3)21(24)22-12-13-27-18-8-10-20(11-9-18)29(25,26)23(4)5/h6-11,14,17H,12-13H2,1-5H3,(H,22,24)
InChIKeyYBBMNYCWLZBNNN-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.52
Rot. Bonds9

About 2-(3,4-dimethylphenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]propanamide

2-(3,4-dimethylphenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]propanamide (PubChem CID 133240516) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]propanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]propanamide
PubChem CID133240516
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name2-(3,4-dimethylphenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]propanamide
SMILESCc1ccc(OC(C)C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1C
InChIInChI=1S/C21H28N2O5S/c1-15-6-7-19(14-16(15)2)28-17(3)21(24)22-12-13-27-18-8-10-20(11-9-18)29(25,26)23(4)5/h6-11,14,17H,12-13H2,1-5H3,(H,22,24)
InChIKeyYBBMNYCWLZBNNN-UHFFFAOYSA-N
XLogP2.52
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide
CID 133211029
N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide
CID 133210994
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
CID 133240470
N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-methylphenoxy)butanamide
CID 133240484
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 133211025
2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 132652833
N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(2-methoxyphenoxy)butanamide
CID 133240519
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 133211011
(2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 9180877
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide
CID 40768898
2-(3-chlorophenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
CID 133240477
2-(4-bromophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]propanamide
CID 55812284

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]propanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]propanamide (CID 133240516) is 2-(3,4-dimethylphenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]propanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]propanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]propanamide is Cc1ccc(OC(C)C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]propanamide?
The InChIKey is YBBMNYCWLZBNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-15-6-7-19(14-16(15)2)28-17(3)21(24)22-12-13-27-18-8-10-20(11-9-18)29(25,26)23(4)5/h6-11,14,17H,12-13H2,1-5H3,(H,22,24).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]propanamide?
2-(3,4-dimethylphenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]propanamide has a molecular weight of 420.53 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]propanamide is sourced from PubChem (CID 133240516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).