N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-methylphenoxy)butanamide

C21H28N2O5S — CID 133240484

IUPACN-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-methylphenoxy)butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C21H28N2O5S/c1-5-20(28-18-8-6-7-16(2)15-18)21(24)22-13-14-27-17-9-11-19(12-10-17)29(25,26)23(3)4/h6-12,15,20H,5,13-14H2,1-4H3,(H,22,24)
InChIKeyPDUICFNBTUTCQU-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.60
Rot. Bonds10

About N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-methylphenoxy)butanamide

N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-methylphenoxy)butanamide (PubChem CID 133240484) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-methylphenoxy)butanamide
PubChem CID133240484
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC NameN-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-methylphenoxy)butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C21H28N2O5S/c1-5-20(28-18-8-6-7-16(2)15-18)21(24)22-13-14-27-17-9-11-19(12-10-17)29(25,26)23(3)4/h6-12,15,20H,5,13-14H2,1-4H3,(H,22,24)
InChIKeyPDUICFNBTUTCQU-UHFFFAOYSA-N
XLogP2.60
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.60
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-chlorophenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
CID 133240477
2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 133211130
N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(2-methoxyphenoxy)butanamide
CID 133240519
(2R)-N-[2-(3-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100547724
2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide
CID 133240011
2-(3,4-dimethylphenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]propanamide
CID 133240516
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
CID 133240470
2-(2,4-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 132652207
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
CID 133240550
N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide
CID 46764187
2-(3-methylphenoxy)-N-(4-propoxyphenyl)butanamide
CID 4943144
2-(3,5-dimethylphenoxy)-N-(2-naphthalen-2-yloxyethyl)butanamide
CID 133252076

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-methylphenoxy)butanamide?
The IUPAC name of N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-methylphenoxy)butanamide (CID 133240484) is N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-methylphenoxy)butanamide?
The canonical SMILES for N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-methylphenoxy)butanamide is CCC(Oc1cccc(C)c1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-methylphenoxy)butanamide?
The InChIKey is PDUICFNBTUTCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-5-20(28-18-8-6-7-16(2)15-18)21(24)22-13-14-27-17-9-11-19(12-10-17)29(25,26)23(3)4/h6-12,15,20H,5,13-14H2,1-4H3,(H,22,24).
What are the key properties of N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-methylphenoxy)butanamide?
N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-methylphenoxy)butanamide has a molecular weight of 420.53 g/mol, XLogP of 2.60, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-methylphenoxy)butanamide is sourced from PubChem (CID 133240484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).