2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide

C23H24N2O4S — CID 4928389

IUPAC2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-3-22(29-20-11-7-8-17(2)16-20)23(26)24-18-12-14-21(15-13-18)30(27,28)25-19-9-5-4-6-10-19/h4-16,22,25H,3H2,1-2H3,(H,24,26)
InChIKeyUPFLOXMIZGVSMK-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.59
Rot. Bonds8

About 2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide

2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide (PubChem CID 4928389) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide
PubChem CID4928389
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-3-22(29-20-11-7-8-17(2)16-20)23(26)24-18-12-14-21(15-13-18)30(27,28)25-19-9-5-4-6-10-19/h4-16,22,25H,3H2,1-2H3,(H,24,26)
InChIKeyUPFLOXMIZGVSMK-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(3-methylphenoxy)butanamide
CID 4928483
N-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxybutanamide
CID 132672040
N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235402
(2R)-2-naphthalen-1-yloxy-N-[4-(phenylsulfamoyl)phenyl]butanamide
CID 92681695
2-(3-methylphenoxy)-N-[4-[4-[2-(3-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 4929418
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide
CID 4950024
(2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide
CID 92677148
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-methylphenoxy)butanamide
CID 4928488
(2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
CID 30384301
(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
CID 94015658
2-(4-fluorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
CID 43885925
(2S)-2-(3-methylphenoxy)-N-[4-(propanoylamino)phenyl]butanamide
CID 42579555

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide (CID 4928389) is 2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide is CCC(Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide?
The InChIKey is UPFLOXMIZGVSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-3-22(29-20-11-7-8-17(2)16-20)23(26)24-18-12-14-21(15-13-18)30(27,28)25-19-9-5-4-6-10-19/h4-16,22,25H,3H2,1-2H3,(H,24,26).
What are the key properties of 2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide?
2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide has a molecular weight of 424.52 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 4928389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).