3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide

C17H20N2O4S — CID 47078326

IUPAC3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide
SMILESCCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C17H20N2O4S/c1-3-11-24(21,22)19-15-9-7-14(8-10-15)18-17(20)13-5-4-6-16(12-13)23-2/h4-10,12,19H,3,11H2,1-2H3,(H,18,20)
InChIKeyMQUQOYWGWURGNT-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.10
Rot. Bonds7

About 3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide

3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide (PubChem CID 47078326) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide
PubChem CID47078326
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide
SMILESCCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C17H20N2O4S/c1-3-11-24(21,22)19-15-9-7-14(8-10-15)18-17(20)13-5-4-6-16(12-13)23-2/h4-10,12,19H,3,11H2,1-2H3,(H,18,20)
InChIKeyMQUQOYWGWURGNT-UHFFFAOYSA-N
XLogP3.10
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[4-(propylamino)phenyl]benzamide
CID 112979702
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 17146887
3-methoxy-N-(4-methylsulfonylphenyl)benzamide
CID 4786053
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
ethyl [4-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930567
3-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 5156929
3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980344
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
N-[4-(tert-butylsulfamoyl)phenyl]-3-methoxybenzamide
CID 3387359
N-(3-ethylphenyl)-3-methoxybenzamide
CID 896052
N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
CID 43416663

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide (CID 47078326) is 3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide is CCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(OC)c2)cc1.
What is the InChIKey of 3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide?
The InChIKey is MQUQOYWGWURGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-3-11-24(21,22)19-15-9-7-14(8-10-15)18-17(20)13-5-4-6-16(12-13)23-2/h4-10,12,19H,3,11H2,1-2H3,(H,18,20).
What are the key properties of 3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide?
3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide has a molecular weight of 348.42 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide is sourced from PubChem (CID 47078326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).