N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide

C17H20N2O4S — CID 27228930

IUPACN-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-18-24(21,22)16-10-3-13(4-11-16)5-12-17(20)19-14-6-8-15(23-2)9-7-14/h3-4,6-11,18H,5,12H2,1-2H3,(H,19,20)
InChIKeyBEEAKETWCWYDON-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.17
Rot. Bonds7

About N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide

N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 27228930) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID27228930
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-18-24(21,22)16-10-3-13(4-11-16)5-12-17(20)19-14-6-8-15(23-2)9-7-14/h3-4,6-11,18H,5,12H2,1-2H3,(H,19,20)
InChIKeyBEEAKETWCWYDON-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]phenyl]propanoic acid
CID 119252165
N-[4-(4-ethoxyphenoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55363172
N-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 46518240
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 2440554
3-[4-(methylsulfamoyl)phenyl]-N-(4-phenylmethoxyphenyl)propanamide
CID 27650136
N-[4-(butylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 17310703
N-(4-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 26701033
3-[4-(methylsulfamoyl)phenyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propanamide
CID 55619533
3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 177005008
N-[4-(3-fluorophenoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 52706285
N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 114299962
N-[3-(4-bromoanilino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55951072

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 27228930) is N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is BEEAKETWCWYDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-18-24(21,22)16-10-3-13(4-11-16)5-12-17(20)19-14-6-8-15(23-2)9-7-14/h3-4,6-11,18H,5,12H2,1-2H3,(H,19,20).
What are the key properties of N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 348.42 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 27228930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).