2-(4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide

C20H24N2O5S — CID 17105820

IUPAC2-(4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-15-4-8-17(9-5-15)27-14-20(23)22-16-6-10-19(11-7-16)28(24,25)21-13-18-3-2-12-26-18/h4-11,18,21H,2-3,12-14H2,1H3,(H,22,23)
InChIKeyZQWDVCUOWFSVCG-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.47
Rot. Bonds8

About 2-(4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide

2-(4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide (PubChem CID 17105820) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
PubChem CID17105820
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name2-(4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-15-4-8-17(9-5-15)27-14-20(23)22-16-6-10-19(11-7-16)28(24,25)21-13-18-3-2-12-26-18/h4-11,18,21H,2-3,12-14H2,1H3,(H,22,23)
InChIKeyZQWDVCUOWFSVCG-UHFFFAOYSA-N
XLogP2.47
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide
CID 1025737
2-naphthalen-2-yloxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17105928
2-(2-bromo-4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17161178
2-(4-methylphenoxy)-N-[5-[[(2R)-oxolan-2-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 51606970
N-(4-methylphenyl)-2-[4-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenoxy]acetamide
CID 51991134
ethyl 2-[4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetate
CID 2943598
2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17105878
4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 17147023
N-(oxolan-2-ylmethyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 2955531
2-(4-methylphenoxy)-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]acetamide
CID 113025408
[2-(4-methylphenyl)-2-oxoethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42983106
2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957867

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide (CID 17105820) is 2-(4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide is Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide?
The InChIKey is ZQWDVCUOWFSVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-15-4-8-17(9-5-15)27-14-20(23)22-16-6-10-19(11-7-16)28(24,25)21-13-18-3-2-12-26-18/h4-11,18,21H,2-3,12-14H2,1H3,(H,22,23).
What are the key properties of 2-(4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide?
2-(4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide has a molecular weight of 404.49 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 17105820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).