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

C28H26N2O4S — CID 4951794

IUPACN-[4-(benzylsulfamoyl)phenyl]-2-(4-phenylphenoxy)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C28H26N2O4S/c1-21(34-26-16-12-24(13-17-26)23-10-6-3-7-11-23)28(31)30-25-14-18-27(19-15-25)35(32,33)29-20-22-8-4-2-5-9-22/h2-19,21,29H,20H2,1H3,(H,30,31)
InChIKeyMKHMIGMSRIKFFK-UHFFFAOYSA-N
MW486.59 g/mol
LogP5.24
Rot. Bonds9

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

N-[4-(benzylsulfamoyl)phenyl]-2-(4-phenylphenoxy)propanamide (PubChem CID 4951794) has the molecular formula C28H26N2O4S and a molecular weight of 486.59 g/mol. Its IUPAC name is N-[4-(benzylsulfamoyl)phenyl]-2-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(benzylsulfamoyl)phenyl]-2-(4-phenylphenoxy)propanamide
PubChem CID4951794
Molecular FormulaC28H26N2O4S
Molecular Weight486.59 g/mol
Exact Mass486.16
IUPAC NameN-[4-(benzylsulfamoyl)phenyl]-2-(4-phenylphenoxy)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C28H26N2O4S/c1-21(34-26-16-12-24(13-17-26)23-10-6-3-7-11-23)28(31)30-25-14-18-27(19-15-25)35(32,33)29-20-22-8-4-2-5-9-22/h2-19,21,29H,20H2,1H3,(H,30,31)
InChIKeyMKHMIGMSRIKFFK-UHFFFAOYSA-N
XLogP5.24
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.59
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953685
2-(4-methylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 2980531
N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenoxy)propanamide
CID 4931586
2-(4-phenylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 2968466
N-[4-(benzylsulfamoyl)phenyl]-2-(2-butan-2-ylphenoxy)propanamide
CID 17129907
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 53281637
(2R)-2-(4-phenylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 1177983
N-[4-(dipropylsulfamoyl)phenyl]-2-(4-phenylphenoxy)propanamide
CID 4951795
(2R)-2-(4-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41269416
N-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 4951720
4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide
CID 46385858

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-2-(4-phenylphenoxy)propanamide?
The IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-2-(4-phenylphenoxy)propanamide (CID 4951794) is N-[4-(benzylsulfamoyl)phenyl]-2-(4-phenylphenoxy)propanamide.
What is the SMILES notation for N-[4-(benzylsulfamoyl)phenyl]-2-(4-phenylphenoxy)propanamide?
The canonical SMILES for N-[4-(benzylsulfamoyl)phenyl]-2-(4-phenylphenoxy)propanamide is CC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-[4-(benzylsulfamoyl)phenyl]-2-(4-phenylphenoxy)propanamide?
The InChIKey is MKHMIGMSRIKFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4S/c1-21(34-26-16-12-24(13-17-26)23-10-6-3-7-11-23)28(31)30-25-14-18-27(19-15-25)35(32,33)29-20-22-8-4-2-5-9-22/h2-19,21,29H,20H2,1H3,(H,30,31).
What are the key properties of N-[4-(benzylsulfamoyl)phenyl]-2-(4-phenylphenoxy)propanamide?
N-[4-(benzylsulfamoyl)phenyl]-2-(4-phenylphenoxy)propanamide has a molecular weight of 486.59 g/mol, XLogP of 5.24, 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-phenylphenoxy)propanamide is sourced from PubChem (CID 4951794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).