N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

C23H30N2O5S — CID 26423489

IUPACN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N(CC)CC)cc2)c(OC)c1
InChIInChI=1S/C23H30N2O5S/c1-5-8-18-11-14-21(22(15-18)29-4)30-17-23(26)24-16-19-9-12-20(13-10-19)31(27,28)25(6-2)7-3/h5,9-15H,1,6-8,16-17H2,2-4H3,(H,24,26)
InChIKeyJKMVWXQIBFQIPW-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.15
Rot. Bonds12

About N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (PubChem CID 26423489) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
PubChem CID26423489
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N(CC)CC)cc2)c(OC)c1
InChIInChI=1S/C23H30N2O5S/c1-5-8-18-11-14-21(22(15-18)29-4)30-17-23(26)24-16-19-9-12-20(13-10-19)31(27,28)25(6-2)7-3/h5,9-15H,1,6-8,16-17H2,2-4H3,(H,24,26)
InChIKeyJKMVWXQIBFQIPW-UHFFFAOYSA-N
XLogP3.15
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide
CID 97429002
2-[4-(diethylsulfamoyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28554472
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38168942
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51305991
N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78767935
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 30763943
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 18084109
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide
CID 26423148
N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
CID 8503813
2-(2-tert-butylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide
CID 24549137
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 112792859

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (CID 26423489) is N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is C=CCc1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N(CC)CC)cc2)c(OC)c1.
What is the InChIKey of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The InChIKey is JKMVWXQIBFQIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-5-8-18-11-14-21(22(15-18)29-4)30-17-23(26)24-16-19-9-12-20(13-10-19)31(27,28)25(6-2)7-3/h5,9-15H,1,6-8,16-17H2,2-4H3,(H,24,26).
What are the key properties of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide has a molecular weight of 446.57 g/mol, XLogP of 3.15, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 26423489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).