(4-phenylphenyl)methyl 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate

C24H25NO5S — CID 16598631

IUPAC(4-phenylphenyl)methyl 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
SMILESCOc1ccc(C(=O)OCc2ccc(-c3ccccc3)cc2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C24H25NO5S/c1-17(2)25-31(27,28)23-15-21(13-14-22(23)29-3)24(26)30-16-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-15,17,25H,16H2,1-3H3
InChIKeyXLELSWLGVXRQLE-UHFFFAOYSA-N
MW439.53 g/mol
LogP4.41
Rot. Bonds8

About (4-phenylphenyl)methyl 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate

(4-phenylphenyl)methyl 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate (PubChem CID 16598631) has the molecular formula C24H25NO5S and a molecular weight of 439.53 g/mol. Its IUPAC name is (4-phenylphenyl)methyl 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
PubChem CID16598631
Molecular FormulaC24H25NO5S
Molecular Weight439.53 g/mol
Exact Mass439.15
IUPAC Name(4-phenylphenyl)methyl 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
SMILESCOc1ccc(C(=O)OCc2ccc(-c3ccccc3)cc2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C24H25NO5S/c1-17(2)25-31(27,28)23-15-21(13-14-22(23)29-3)24(26)30-16-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-15,17,25H,16H2,1-3H3
InChIKeyXLELSWLGVXRQLE-UHFFFAOYSA-N
XLogP4.41
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(trifluoromethyl)phenyl]methyl 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
CID 46689931
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
CID 42984956
[4-(2-methoxy-2-oxoethyl)phenyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
CID 16594814
(2S)-2-[(5-ethoxycarbonyl-2-methoxyphenyl)sulfonylamino]propanoic acid
CID 120968720
(6,7-dimethyl-2-oxochromen-4-yl)methyl 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
CID 41121739
[1-oxo-1-(2-phenylanilino)propan-2-yl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
CID 42986774
benzyl 4-methoxy-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722340
[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
CID 41121857
[4-(2-cyanophenyl)phenyl]methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 30292306
(4-phenylphenyl)methyl 3,4-dimethylbenzoate
CID 7794291
(4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973283
4-methoxy-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 46466460

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate?
The IUPAC name of (4-phenylphenyl)methyl 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate (CID 16598631) is (4-phenylphenyl)methyl 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate.
What is the SMILES notation for (4-phenylphenyl)methyl 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate?
The canonical SMILES for (4-phenylphenyl)methyl 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate is COc1ccc(C(=O)OCc2ccc(-c3ccccc3)cc2)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of (4-phenylphenyl)methyl 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate?
The InChIKey is XLELSWLGVXRQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5S/c1-17(2)25-31(27,28)23-15-21(13-14-22(23)29-3)24(26)30-16-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-15,17,25H,16H2,1-3H3.
What are the key properties of (4-phenylphenyl)methyl 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate?
(4-phenylphenyl)methyl 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate has a molecular weight of 439.53 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate is sourced from PubChem (CID 16598631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).