N-[4-(acetylsulfamoyl)phenyl]-3-methoxy-4-propoxybenzamide

C19H22N2O6S — CID 4883352

IUPACN-[4-(acetylsulfamoyl)phenyl]-3-methoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1OC
InChIInChI=1S/C19H22N2O6S/c1-4-11-27-17-10-5-14(12-18(17)26-3)19(23)20-15-6-8-16(9-7-15)28(24,25)21-13(2)22/h5-10,12H,4,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyWJAQKHRASOGVFR-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.56
Rot. Bonds8

About N-[4-(acetylsulfamoyl)phenyl]-3-methoxy-4-propoxybenzamide

N-[4-(acetylsulfamoyl)phenyl]-3-methoxy-4-propoxybenzamide (PubChem CID 4883352) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-3-methoxy-4-propoxybenzamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-3-methoxy-4-propoxybenzamide
PubChem CID4883352
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-3-methoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1OC
InChIInChI=1S/C19H22N2O6S/c1-4-11-27-17-10-5-14(12-18(17)26-3)19(23)20-15-6-8-16(9-7-15)28(24,25)21-13(2)22/h5-10,12H,4,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyWJAQKHRASOGVFR-UHFFFAOYSA-N
XLogP2.56
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide
CID 3487995
4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219667
N-(3,5-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2683270
N-(3,4-dipropoxyphenyl)-4-(ethylsulfamoyl)benzamide
CID 26878614
3-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-propoxybenzamide
CID 4850610
N-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide
CID 9494456
N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide
CID 119420223
3,4-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1084470
N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 141154638
3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17342662
N-(4-ethoxy-3-methoxyphenyl)-4-(ethylsulfamoyl)benzamide
CID 9102814
3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 8004402

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-methoxy-4-propoxybenzamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-methoxy-4-propoxybenzamide (CID 4883352) is N-[4-(acetylsulfamoyl)phenyl]-3-methoxy-4-propoxybenzamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-3-methoxy-4-propoxybenzamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-3-methoxy-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1OC.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-3-methoxy-4-propoxybenzamide?
The InChIKey is WJAQKHRASOGVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-4-11-27-17-10-5-14(12-18(17)26-3)19(23)20-15-6-8-16(9-7-15)28(24,25)21-13(2)22/h5-10,12H,4,11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-3-methoxy-4-propoxybenzamide?
N-[4-(acetylsulfamoyl)phenyl]-3-methoxy-4-propoxybenzamide has a molecular weight of 406.46 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-3-methoxy-4-propoxybenzamide is sourced from PubChem (CID 4883352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).