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

C22H30N2O5S — CID 100558295

IUPACN-[2-(2,4-dimethylphenoxy)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCOc1ccc(C)cc1C
InChIInChI=1S/C22H30N2O5S/c1-16-6-9-20(17(2)14-16)29-13-12-23-22(25)11-7-18-15-19(8-10-21(18)28-5)30(26,27)24(3)4/h6,8-10,14-15H,7,11-13H2,1-5H3,(H,23,25)
InChIKeyXWPXEJAZGAMDFX-UHFFFAOYSA-N
MW434.56 g/mol
LogP2.69
Rot. Bonds10

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

N-[2-(2,4-dimethylphenoxy)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide (PubChem CID 100558295) has the molecular formula C22H30N2O5S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenoxy)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenoxy)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
PubChem CID100558295
Molecular FormulaC22H30N2O5S
Molecular Weight434.56 g/mol
Exact Mass434.19
IUPAC NameN-[2-(2,4-dimethylphenoxy)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCOc1ccc(C)cc1C
InChIInChI=1S/C22H30N2O5S/c1-16-6-9-20(17(2)14-16)29-13-12-23-22(25)11-7-18-15-19(8-10-21(18)28-5)30(26,27)24(3)4/h6,8-10,14-15H,7,11-13H2,1-5H3,(H,23,25)
InChIKeyXWPXEJAZGAMDFX-UHFFFAOYSA-N
XLogP2.69
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 52.69
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

N-[2-(2,4-dimethylphenoxy)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 41262125
N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100556358
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 18198635
N-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100678955
N-(5-chloro-2-methoxyphenyl)-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100658824
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 133250860
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide
CID 125060384
3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 38016036
methyl 2-[3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanoylamino]-4,5-dimethoxybenzoate
CID 100600934
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100754253
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2,4-dimethylphenoxy)ethyl]propanamide
CID 31948625

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
The IUPAC name of N-[2-(2,4-dimethylphenoxy)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide (CID 100558295) is N-[2-(2,4-dimethylphenoxy)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenoxy)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
The canonical SMILES for N-[2-(2,4-dimethylphenoxy)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide is COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCOc1ccc(C)cc1C.
What is the InChIKey of N-[2-(2,4-dimethylphenoxy)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
The InChIKey is XWPXEJAZGAMDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5S/c1-16-6-9-20(17(2)14-16)29-13-12-23-22(25)11-7-18-15-19(8-10-21(18)28-5)30(26,27)24(3)4/h6,8-10,14-15H,7,11-13H2,1-5H3,(H,23,25).
What are the key properties of N-[2-(2,4-dimethylphenoxy)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
N-[2-(2,4-dimethylphenoxy)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide has a molecular weight of 434.56 g/mol, XLogP of 2.69, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenoxy)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide is sourced from PubChem (CID 100558295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).