N-[4-(acetylsulfamoyl)phenyl]-4-methoxybenzamide

C16H16N2O5S — CID 3738288

IUPACN-[4-(acetylsulfamoyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1
InChIInChI=1S/C16H16N2O5S/c1-11(19)18-24(21,22)15-9-5-13(6-10-15)17-16(20)12-3-7-14(23-2)8-4-12/h3-10H,1-2H3,(H,17,20)(H,18,19)
InChIKeyJTKQXHVANLEWNB-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.77
Rot. Bonds5

About N-[4-(acetylsulfamoyl)phenyl]-4-methoxybenzamide

N-[4-(acetylsulfamoyl)phenyl]-4-methoxybenzamide (PubChem CID 3738288) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-4-methoxybenzamide
PubChem CID3738288
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1
InChIInChI=1S/C16H16N2O5S/c1-11(19)18-24(21,22)15-9-5-13(6-10-15)17-16(20)12-3-7-14(23-2)8-4-12/h3-10H,1-2H3,(H,17,20)(H,18,19)
InChIKeyJTKQXHVANLEWNB-UHFFFAOYSA-N
XLogP1.77
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-N-(4-methoxyphenyl)benzamide
CID 346815
Sulfaproxyline
CID 67002
N-(2-Aminophenyl)-4-methoxybenzamide
CID 785232
4-Methoxy-N-(3-methylphenyl)benzamide
CID 346046
PG-116800
CID 9848869
4-methoxy-N-(3-methoxyphenyl)benzamide
CID 687087
N-(4-Ethoxyphenyl)-4-methoxybenzamide
CID 584690
2-({3-[(Diethylamino)sulfonyl]-4-methoxybenzoyl}amino)benzoic acid
CID 1521222
2-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 822776
(2E)-3-(3,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1294363
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1034712
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-4-methoxybenzamide (CID 3738288) is N-[4-(acetylsulfamoyl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-4-methoxybenzamide?
The InChIKey is JTKQXHVANLEWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-11(19)18-24(21,22)15-9-5-13(6-10-15)17-16(20)12-3-7-14(23-2)8-4-12/h3-10H,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-4-methoxybenzamide?
N-[4-(acetylsulfamoyl)phenyl]-4-methoxybenzamide has a molecular weight of 348.38 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 3738288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).