N-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide

C20H26N2O5S — CID 9494456

IUPACN-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1OCC
InChIInChI=1S/C20H26N2O5S/c1-5-13-27-18-12-7-15(14-19(18)26-6-2)20(23)21-16-8-10-17(11-9-16)28(24,25)22(3)4/h7-12,14H,5-6,13H2,1-4H3,(H,21,23)
InChIKeyWUOVVYALCVQITF-UHFFFAOYSA-N
MW406.50 g/mol
LogP3.38
Rot. Bonds9

About N-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide

N-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide (PubChem CID 9494456) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide
PubChem CID9494456
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1OCC
InChIInChI=1S/C20H26N2O5S/c1-5-13-27-18-12-7-15(14-19(18)26-6-2)20(23)21-16-8-10-17(11-9-16)28(24,25)22(3)4/h7-12,14H,5-6,13H2,1-4H3,(H,21,23)
InChIKeyWUOVVYALCVQITF-UHFFFAOYSA-N
XLogP3.38
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 2520365
N-[4-(dimethylsulfamoyl)phenyl]-4-ethoxybenzamide
CID 2672905
3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide
CID 3276495
N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 141154638
N-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide
CID 3487995
N-[4-(dimethylsulfamoyl)phenyl]-3-(ethoxymethyl)-4-methoxybenzamide
CID 9086633
3-ethoxy-N',N'-dimethyl-4-propoxybenzohydrazide
CID 9164038
4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846
N-(3-acetamidophenyl)-3-ethoxy-4-propoxybenzamide
CID 26103323
N-(3,4-dipropoxyphenyl)-4-(ethylsulfamoyl)benzamide
CID 26878614
3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55346054
3-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-propoxybenzamide
CID 17342762

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide (CID 9494456) is N-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1OCC.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide?
The InChIKey is WUOVVYALCVQITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-5-13-27-18-12-7-15(14-19(18)26-6-2)20(23)21-16-8-10-17(11-9-16)28(24,25)22(3)4/h7-12,14H,5-6,13H2,1-4H3,(H,21,23).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide?
N-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide has a molecular weight of 406.50 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide is sourced from PubChem (CID 9494456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).