N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenoxy)propanamide

C23H24N2O4S — CID 4931586

IUPACN-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OC(C)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-17-8-6-7-11-22(17)29-18(2)23(26)25-20-12-14-21(15-13-20)30(27,28)24-16-19-9-4-3-5-10-19/h3-15,18,24H,16H2,1-2H3,(H,25,26)
InChIKeyCCFACBKSVOMQHB-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.88
Rot. Bonds8

About N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenoxy)propanamide

N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenoxy)propanamide (PubChem CID 4931586) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenoxy)propanamide
PubChem CID4931586
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OC(C)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-17-8-6-7-11-22(17)29-18(2)23(26)25-20-12-14-21(15-13-20)30(27,28)24-16-19-9-4-3-5-10-19/h3-15,18,24H,16H2,1-2H3,(H,25,26)
InChIKeyCCFACBKSVOMQHB-UHFFFAOYSA-N
XLogP3.88
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(benzylsulfamoyl)phenyl]-2-(2-butan-2-ylphenoxy)propanamide
CID 17129907
N-[4-(benzylsulfamoyl)phenyl]-2-(4-phenylphenoxy)propanamide
CID 4951794
N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953685
(2R)-2-(2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 92681510
N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17145886
(2R)-N-(4-hydroxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837411
2-(2-nitrophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4943654
N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235390
2-(4-methylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 2980531
(2R)-2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide
CID 94016579
2-(2-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340229
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenoxy)propanamide?
The IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenoxy)propanamide (CID 4931586) is N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenoxy)propanamide?
The canonical SMILES for N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenoxy)propanamide is Cc1ccccc1OC(C)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenoxy)propanamide?
The InChIKey is CCFACBKSVOMQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-17-8-6-7-11-22(17)29-18(2)23(26)25-20-12-14-21(15-13-20)30(27,28)24-16-19-9-4-3-5-10-19/h3-15,18,24H,16H2,1-2H3,(H,25,26).
What are the key properties of N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenoxy)propanamide?
N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenoxy)propanamide has a molecular weight of 424.52 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenoxy)propanamide is sourced from PubChem (CID 4931586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).