5-[ethyl-(3-methoxy-4-phenylmethoxyphenyl)sulfamoyl]-4-methoxy-2-methylbenzoic acid

C25H27NO7S — CID 69236565

IUPAC5-[ethyl-(3-methoxy-4-phenylmethoxyphenyl)sulfamoyl]-4-methoxy-2-methylbenzoic acid
SMILESCCN(c1ccc(OCc2ccccc2)c(OC)c1)S(=O)(=O)c1cc(C(=O)O)c(C)cc1OC
InChIInChI=1S/C25H27NO7S/c1-5-26(34(29,30)24-15-20(25(27)28)17(2)13-23(24)32-4)19-11-12-21(22(14-19)31-3)33-16-18-9-7-6-8-10-18/h6-15H,5,16H2,1-4H3,(H,27,28)
InChIKeyWIARKLRCMCXTQN-UHFFFAOYSA-N
MW485.56 g/mol
LogP4.50
Rot. Bonds10

About 5-[ethyl-(3-methoxy-4-phenylmethoxyphenyl)sulfamoyl]-4-methoxy-2-methylbenzoic acid

5-[ethyl-(3-methoxy-4-phenylmethoxyphenyl)sulfamoyl]-4-methoxy-2-methylbenzoic acid (PubChem CID 69236565) has the molecular formula C25H27NO7S and a molecular weight of 485.56 g/mol. Its IUPAC name is 5-[ethyl-(3-methoxy-4-phenylmethoxyphenyl)sulfamoyl]-4-methoxy-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[ethyl-(3-methoxy-4-phenylmethoxyphenyl)sulfamoyl]-4-methoxy-2-methylbenzoic acid
PubChem CID69236565
Molecular FormulaC25H27NO7S
Molecular Weight485.56 g/mol
Exact Mass485.15
IUPAC Name5-[ethyl-(3-methoxy-4-phenylmethoxyphenyl)sulfamoyl]-4-methoxy-2-methylbenzoic acid
SMILESCCN(c1ccc(OCc2ccccc2)c(OC)c1)S(=O)(=O)c1cc(C(=O)O)c(C)cc1OC
InChIInChI=1S/C25H27NO7S/c1-5-26(34(29,30)24-15-20(25(27)28)17(2)13-23(24)32-4)19-11-12-21(22(14-19)31-3)33-16-18-9-7-6-8-10-18/h6-15H,5,16H2,1-4H3,(H,27,28)
InChIKeyWIARKLRCMCXTQN-UHFFFAOYSA-N
XLogP4.50
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-(3-methoxy-4-phenylmethoxyphenyl)sulfamoyl]-4-methoxy-2-methylbenzoic acid?
The IUPAC name of 5-[ethyl-(3-methoxy-4-phenylmethoxyphenyl)sulfamoyl]-4-methoxy-2-methylbenzoic acid (CID 69236565) is 5-[ethyl-(3-methoxy-4-phenylmethoxyphenyl)sulfamoyl]-4-methoxy-2-methylbenzoic acid.
What is the SMILES notation for 5-[ethyl-(3-methoxy-4-phenylmethoxyphenyl)sulfamoyl]-4-methoxy-2-methylbenzoic acid?
The canonical SMILES for 5-[ethyl-(3-methoxy-4-phenylmethoxyphenyl)sulfamoyl]-4-methoxy-2-methylbenzoic acid is CCN(c1ccc(OCc2ccccc2)c(OC)c1)S(=O)(=O)c1cc(C(=O)O)c(C)cc1OC.
What is the InChIKey of 5-[ethyl-(3-methoxy-4-phenylmethoxyphenyl)sulfamoyl]-4-methoxy-2-methylbenzoic acid?
The InChIKey is WIARKLRCMCXTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO7S/c1-5-26(34(29,30)24-15-20(25(27)28)17(2)13-23(24)32-4)19-11-12-21(22(14-19)31-3)33-16-18-9-7-6-8-10-18/h6-15H,5,16H2,1-4H3,(H,27,28).
What are the key properties of 5-[ethyl-(3-methoxy-4-phenylmethoxyphenyl)sulfamoyl]-4-methoxy-2-methylbenzoic acid?
5-[ethyl-(3-methoxy-4-phenylmethoxyphenyl)sulfamoyl]-4-methoxy-2-methylbenzoic acid has a molecular weight of 485.56 g/mol, XLogP of 4.50, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-(3-methoxy-4-phenylmethoxyphenyl)sulfamoyl]-4-methoxy-2-methylbenzoic acid is sourced from PubChem (CID 69236565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).