N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(2-methoxyphenoxy)butanamide

C21H28N2O6S — CID 133240519

IUPACN-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(2-methoxyphenoxy)butanamide
SMILESCCC(Oc1ccccc1OC)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C21H28N2O6S/c1-5-18(29-20-9-7-6-8-19(20)27-4)21(24)22-14-15-28-16-10-12-17(13-11-16)30(25,26)23(2)3/h6-13,18H,5,14-15H2,1-4H3,(H,22,24)
InChIKeyVEGPLLDQPZOJAU-UHFFFAOYSA-N
MW436.53 g/mol
LogP2.30
Rot. Bonds11

About N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(2-methoxyphenoxy)butanamide

N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(2-methoxyphenoxy)butanamide (PubChem CID 133240519) has the molecular formula C21H28N2O6S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(2-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(2-methoxyphenoxy)butanamide
PubChem CID133240519
Molecular FormulaC21H28N2O6S
Molecular Weight436.53 g/mol
Exact Mass436.17
IUPAC NameN-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(2-methoxyphenoxy)butanamide
SMILESCCC(Oc1ccccc1OC)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C21H28N2O6S/c1-5-18(29-20-9-7-6-8-19(20)27-4)21(24)22-14-15-28-16-10-12-17(13-11-16)30(25,26)23(2)3/h6-13,18H,5,14-15H2,1-4H3,(H,22,24)
InChIKeyVEGPLLDQPZOJAU-UHFFFAOYSA-N
XLogP2.30
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133211089
N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-methylphenoxy)butanamide
CID 133240484
2-(3-chlorophenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
CID 133240477
2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133211113
2-(2-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 133239943
2-(3,4-dimethylphenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]propanamide
CID 133240516
2-(2,3-dimethylphenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133240129
(2S)-N-butyl-2-(2-methoxyphenoxy)butanamide
CID 40769022
2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133239906
(2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 9172862
2-(2,3-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 133240125
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
CID 133240470

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(2-methoxyphenoxy)butanamide?
The IUPAC name of N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(2-methoxyphenoxy)butanamide (CID 133240519) is N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(2-methoxyphenoxy)butanamide.
What is the SMILES notation for N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(2-methoxyphenoxy)butanamide?
The canonical SMILES for N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(2-methoxyphenoxy)butanamide is CCC(Oc1ccccc1OC)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(2-methoxyphenoxy)butanamide?
The InChIKey is VEGPLLDQPZOJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6S/c1-5-18(29-20-9-7-6-8-19(20)27-4)21(24)22-14-15-28-16-10-12-17(13-11-16)30(25,26)23(2)3/h6-13,18H,5,14-15H2,1-4H3,(H,22,24).
What are the key properties of N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(2-methoxyphenoxy)butanamide?
N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(2-methoxyphenoxy)butanamide has a molecular weight of 436.53 g/mol, XLogP of 2.30, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(2-methoxyphenoxy)butanamide is sourced from PubChem (CID 133240519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).