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

C26H30N2O4S — CID 17129907

IUPACN-[4-(benzylsulfamoyl)phenyl]-2-(2-butan-2-ylphenoxy)propanamide
SMILESCCC(C)c1ccccc1OC(C)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C26H30N2O4S/c1-4-19(2)24-12-8-9-13-25(24)32-20(3)26(29)28-22-14-16-23(17-15-22)33(30,31)27-18-21-10-6-5-7-11-21/h5-17,19-20,27H,4,18H2,1-3H3,(H,28,29)
InChIKeySVWSOZKWVQAFOQ-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.08
Rot. Bonds10

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

N-[4-(benzylsulfamoyl)phenyl]-2-(2-butan-2-ylphenoxy)propanamide (PubChem CID 17129907) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-[4-(benzylsulfamoyl)phenyl]-2-(2-butan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(benzylsulfamoyl)phenyl]-2-(2-butan-2-ylphenoxy)propanamide
PubChem CID17129907
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN-[4-(benzylsulfamoyl)phenyl]-2-(2-butan-2-ylphenoxy)propanamide
SMILESCCC(C)c1ccccc1OC(C)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C26H30N2O4S/c1-4-19(2)24-12-8-9-13-25(24)32-20(3)26(29)28-22-14-16-23(17-15-22)33(30,31)27-18-21-10-6-5-7-11-21/h5-17,19-20,27H,4,18H2,1-3H3,(H,28,29)
InChIKeySVWSOZKWVQAFOQ-UHFFFAOYSA-N
XLogP5.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenoxy)propanamide
CID 4931586
2-(2-butan-2-ylphenoxy)-N-phenylpropanamide
CID 17129825
N-[4-(benzylsulfamoyl)phenyl]-2-(4-phenylphenoxy)propanamide
CID 4951794
N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953685
N-benzyl-2-(2-butan-2-ylphenoxy)propanamide
CID 17129862
N-[4-(phenylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43915337
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 54781417
N-[4-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 17235107
2-(2-nitrophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4943654
2-(2-butan-2-ylphenoxy)-N'-(2-phenylacetyl)propanehydrazide
CID 17129998
(2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 38017067
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-2-(2-butan-2-ylphenoxy)propanamide?
The IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-2-(2-butan-2-ylphenoxy)propanamide (CID 17129907) is N-[4-(benzylsulfamoyl)phenyl]-2-(2-butan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[4-(benzylsulfamoyl)phenyl]-2-(2-butan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[4-(benzylsulfamoyl)phenyl]-2-(2-butan-2-ylphenoxy)propanamide is CCC(C)c1ccccc1OC(C)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-[4-(benzylsulfamoyl)phenyl]-2-(2-butan-2-ylphenoxy)propanamide?
The InChIKey is SVWSOZKWVQAFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-4-19(2)24-12-8-9-13-25(24)32-20(3)26(29)28-22-14-16-23(17-15-22)33(30,31)27-18-21-10-6-5-7-11-21/h5-17,19-20,27H,4,18H2,1-3H3,(H,28,29).
What are the key properties of N-[4-(benzylsulfamoyl)phenyl]-2-(2-butan-2-ylphenoxy)propanamide?
N-[4-(benzylsulfamoyl)phenyl]-2-(2-butan-2-ylphenoxy)propanamide has a molecular weight of 466.60 g/mol, XLogP of 5.08, 10 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-butan-2-ylphenoxy)propanamide is sourced from PubChem (CID 17129907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).