N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide

C25H28N2O4S — CID 4953685

IUPACN-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-18(2)21-9-13-23(14-10-21)31-19(3)25(28)27-22-11-15-24(16-12-22)32(29,30)26-17-20-7-5-4-6-8-20/h4-16,18-19,26H,17H2,1-3H3,(H,27,28)
InChIKeyNUXDGLVOKMWURP-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.69
Rot. Bonds9

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

N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 4953685) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID4953685
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-18(2)21-9-13-23(14-10-21)31-19(3)25(28)27-22-11-15-24(16-12-22)32(29,30)26-17-20-7-5-4-6-8-20/h4-16,18-19,26H,17H2,1-3H3,(H,27,28)
InChIKeyNUXDGLVOKMWURP-UHFFFAOYSA-N
XLogP4.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(benzylsulfamoyl)phenyl]-2-(4-phenylphenoxy)propanamide
CID 4951794
N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4928885
N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenoxy)propanamide
CID 4931586
2-(4-methylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 2980531
N-[4-(benzylsulfamoyl)phenyl]-2-(2-butan-2-ylphenoxy)propanamide
CID 17129907
3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 126246447
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953580
N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108572799
N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 53281637
(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide
CID 9239248
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 4939919
(2R)-2-(4-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41269416

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide (CID 4953685) is N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide is CC(Oc1ccc(C(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is NUXDGLVOKMWURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-18(2)21-9-13-23(14-10-21)31-19(3)25(28)27-22-11-15-24(16-12-22)32(29,30)26-17-20-7-5-4-6-8-20/h4-16,18-19,26H,17H2,1-3H3,(H,27,28).
What are the key properties of N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 452.58 g/mol, XLogP of 4.69, 9 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-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 4953685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).