2-(2-methylpropoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide

C23H24N2O4S — CID 4945295

IUPAC2-(2-methylpropoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESCC(C)COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-17(2)16-29-22-11-7-6-10-21(22)23(26)24-18-12-14-20(15-13-18)30(27,28)25-19-8-4-3-5-9-19/h3-15,17,25H,16H2,1-2H3,(H,24,26)
InChIKeyYBHSIXRAYCHTSI-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.77
Rot. Bonds8

About 2-(2-methylpropoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide

2-(2-methylpropoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide (PubChem CID 4945295) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-(2-methylpropoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide
PubChem CID4945295
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name2-(2-methylpropoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESCC(C)COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-17(2)16-29-22-11-7-6-10-21(22)23(26)24-18-12-14-20(15-13-18)30(27,28)25-19-8-4-3-5-9-19/h3-15,17,25H,16H2,1-2H3,(H,24,26)
InChIKeyYBHSIXRAYCHTSI-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyethoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 17122669
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 4945399
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 4945392
N-[4-(methylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 28642656
2-(2-phenylethoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 19628144
2-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 1333349
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 1226628
2-(2-methylpropoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide
CID 17233576
2-ethoxy-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 4940660
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenoxyethoxy)benzamide
CID 4954263
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 42999581
2-phenoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 8752850

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-(2-methylpropoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide (CID 4945295) is 2-(2-methylpropoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-(2-methylpropoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-(2-methylpropoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide is CC(C)COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-(2-methylpropoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The InChIKey is YBHSIXRAYCHTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-17(2)16-29-22-11-7-6-10-21(22)23(26)24-18-12-14-20(15-13-18)30(27,28)25-19-8-4-3-5-9-19/h3-15,17,25H,16H2,1-2H3,(H,24,26).
What are the key properties of 2-(2-methylpropoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide?
2-(2-methylpropoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide has a molecular weight of 424.52 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 4945295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).