[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate

C25H24ClNO8S — CID 25046576

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(Cl)c(OC)cc3OC)c2)cc1
InChIInChI=1S/C25H24ClNO8S/c1-15-5-6-17(25(29)35-14-21(28)16-7-9-18(32-2)10-8-16)11-24(15)36(30,31)27-20-12-19(26)22(33-3)13-23(20)34-4/h5-13,27H,14H2,1-4H3
InChIKeyZBOLNTQREQVGEQ-UHFFFAOYSA-N
MW533.99 g/mol
LogP4.51
Rot. Bonds10

About [2-(4-methoxyphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate

[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate (PubChem CID 25046576) has the molecular formula C25H24ClNO8S and a molecular weight of 533.99 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate
PubChem CID25046576
Molecular FormulaC25H24ClNO8S
Molecular Weight533.99 g/mol
Exact Mass533.09
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(Cl)c(OC)cc3OC)c2)cc1
InChIInChI=1S/C25H24ClNO8S/c1-15-5-6-17(25(29)35-14-21(28)16-7-9-18(32-2)10-8-16)11-24(15)36(30,31)27-20-12-19(26)22(33-3)13-23(20)34-4/h5-13,27H,14H2,1-4H3
InChIKeyZBOLNTQREQVGEQ-UHFFFAOYSA-N
XLogP4.51
TPSA117.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.99
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(4-methoxyphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate with MolForge

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Related Compounds

[2-(3,4-dimethylphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate
CID 25037645
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide
CID 2085572
5-tert-butyl-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938313
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 55948650
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 41072188
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 55596967
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 25047570
5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 27993653
dimethyl 2-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 29424922
methyl 4,5-dimethoxy-2-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]benzoate
CID 35508855
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 25409088
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate
CID 7981526

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate (CID 25046576) is [2-(4-methoxyphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate is COc1ccc(C(=O)COC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(Cl)c(OC)cc3OC)c2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate?
The InChIKey is ZBOLNTQREQVGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClNO8S/c1-15-5-6-17(25(29)35-14-21(28)16-7-9-18(32-2)10-8-16)11-24(15)36(30,31)27-20-12-19(26)22(33-3)13-23(20)34-4/h5-13,27H,14H2,1-4H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate?
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate has a molecular weight of 533.99 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate is sourced from PubChem (CID 25046576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).