N-[2-(3,4-diethoxyphenyl)ethyl]-4-(prop-2-enylsulfamoyl)benzamide

C22H28N2O5S — CID 27259975

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccc(OCC)c(OCC)c2)cc1
InChIInChI=1S/C22H28N2O5S/c1-4-14-24-30(26,27)19-10-8-18(9-11-19)22(25)23-15-13-17-7-12-20(28-5-2)21(16-17)29-6-3/h4,7-12,16,24H,1,5-6,13-15H2,2-3H3,(H,23,25)
InChIKeySSKHRZDDOOYUGB-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.92
Rot. Bonds12

About N-[2-(3,4-diethoxyphenyl)ethyl]-4-(prop-2-enylsulfamoyl)benzamide

N-[2-(3,4-diethoxyphenyl)ethyl]-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 27259975) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID27259975
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccc(OCC)c(OCC)c2)cc1
InChIInChI=1S/C22H28N2O5S/c1-4-14-24-30(26,27)19-10-8-18(9-11-19)22(25)23-15-13-17-7-12-20(28-5-2)21(16-17)29-6-3/h4,7-12,16,24H,1,5-6,13-15H2,2-3H3,(H,23,25)
InChIKeySSKHRZDDOOYUGB-UHFFFAOYSA-N
XLogP2.92
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 26851304
4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119264756
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 55713686
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea
CID 108909248
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 26120167
N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 2557674
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55488337
N-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 25317177
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1179288
N-[2-(3-methylphenoxy)ethyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 27859389
N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46535133
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methyl-4-nitrobenzamide
CID 8781324

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-4-(prop-2-enylsulfamoyl)benzamide (CID 27259975) is N-[2-(3,4-diethoxyphenyl)ethyl]-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccc(OCC)c(OCC)c2)cc1.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is SSKHRZDDOOYUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-4-14-24-30(26,27)19-10-8-18(9-11-19)22(25)23-15-13-17-7-12-20(28-5-2)21(16-17)29-6-3/h4,7-12,16,24H,1,5-6,13-15H2,2-3H3,(H,23,25).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-4-(prop-2-enylsulfamoyl)benzamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 432.54 g/mol, XLogP of 2.92, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 27259975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).