N-(2-hydroxy-4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide

C17H20N2O4S — CID 51180868

IUPACN-(2-hydroxy-4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C)cc2O)cc1
InChIInChI=1S/C17H20N2O4S/c1-12-3-9-15(16(20)11-12)19-17(21)10-6-13-4-7-14(8-5-13)24(22,23)18-2/h3-5,7-9,11,18,20H,6,10H2,1-2H3,(H,19,21)
InChIKeyDTZWUTKDAJDRKS-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.18
Rot. Bonds6

About N-(2-hydroxy-4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide

N-(2-hydroxy-4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 51180868) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID51180868
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(2-hydroxy-4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C)cc2O)cc1
InChIInChI=1S/C17H20N2O4S/c1-12-3-9-15(16(20)11-12)19-17(21)10-6-13-4-7-14(8-5-13)24(22,23)18-2/h3-5,7-9,11,18,20H,6,10H2,1-2H3,(H,19,21)
InChIKeyDTZWUTKDAJDRKS-UHFFFAOYSA-N
XLogP2.18
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2103502
N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 47128848
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 33426038
3-[4-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]phenyl]propanoic acid
CID 119252165
N-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60561901
3-(3-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)propanamide
CID 127122015
2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9495477
N-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 46518240
N-(2-hydroxy-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9495575
N-[2-(2,4-dimethylphenoxy)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 41262125
N-(2,4-dimethylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126242074
N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-(4-methylphenyl)propanamide
CID 39185832

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 51180868) is N-(2-hydroxy-4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C)cc2O)cc1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is DTZWUTKDAJDRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12-3-9-15(16(20)11-12)19-17(21)10-6-13-4-7-14(8-5-13)24(22,23)18-2/h3-5,7-9,11,18,20H,6,10H2,1-2H3,(H,19,21).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-(2-hydroxy-4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 348.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 51180868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).