2-[[4-(cyclopentylmethoxy)-3-(diethylsulfamoyl)benzoyl]amino]benzoic acid

C24H30N2O6S — CID 11213649

IUPAC2-[[4-(cyclopentylmethoxy)-3-(diethylsulfamoyl)benzoyl]amino]benzoic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)O)ccc1OCC1CCCC1
InChIInChI=1S/C24H30N2O6S/c1-3-26(4-2)33(30,31)22-15-18(13-14-21(22)32-16-17-9-5-6-10-17)23(27)25-20-12-8-7-11-19(20)24(28)29/h7-8,11-15,17H,3-6,9-10,16H2,1-2H3,(H,25,27)(H,28,29)
InChIKeyWQZZLIXMWSYLBJ-UHFFFAOYSA-N
MW474.58 g/mol
LogP4.24
Rot. Bonds10

About 2-[[4-(cyclopentylmethoxy)-3-(diethylsulfamoyl)benzoyl]amino]benzoic acid

2-[[4-(cyclopentylmethoxy)-3-(diethylsulfamoyl)benzoyl]amino]benzoic acid (PubChem CID 11213649) has the molecular formula C24H30N2O6S and a molecular weight of 474.58 g/mol. Its IUPAC name is 2-[[4-(cyclopentylmethoxy)-3-(diethylsulfamoyl)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[4-(cyclopentylmethoxy)-3-(diethylsulfamoyl)benzoyl]amino]benzoic acid
PubChem CID11213649
Molecular FormulaC24H30N2O6S
Molecular Weight474.58 g/mol
Exact Mass474.18
IUPAC Name2-[[4-(cyclopentylmethoxy)-3-(diethylsulfamoyl)benzoyl]amino]benzoic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)O)ccc1OCC1CCCC1
InChIInChI=1S/C24H30N2O6S/c1-3-26(4-2)33(30,31)22-15-18(13-14-21(22)32-16-17-9-5-6-10-17)23(27)25-20-12-8-7-11-19(20)24(28)29/h7-8,11-15,17H,3-6,9-10,16H2,1-2H3,(H,25,27)(H,28,29)
InChIKeyWQZZLIXMWSYLBJ-UHFFFAOYSA-N
XLogP4.24
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopentylmethoxy)-3-(diethylsulfamoyl)benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[4-(cyclopentylmethoxy)-3-(diethylsulfamoyl)benzoyl]amino]benzoic acid (CID 11213649) is 2-[[4-(cyclopentylmethoxy)-3-(diethylsulfamoyl)benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[4-(cyclopentylmethoxy)-3-(diethylsulfamoyl)benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[4-(cyclopentylmethoxy)-3-(diethylsulfamoyl)benzoyl]amino]benzoic acid is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)O)ccc1OCC1CCCC1.
What is the InChIKey of 2-[[4-(cyclopentylmethoxy)-3-(diethylsulfamoyl)benzoyl]amino]benzoic acid?
The InChIKey is WQZZLIXMWSYLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6S/c1-3-26(4-2)33(30,31)22-15-18(13-14-21(22)32-16-17-9-5-6-10-17)23(27)25-20-12-8-7-11-19(20)24(28)29/h7-8,11-15,17H,3-6,9-10,16H2,1-2H3,(H,25,27)(H,28,29).
What are the key properties of 2-[[4-(cyclopentylmethoxy)-3-(diethylsulfamoyl)benzoyl]amino]benzoic acid?
2-[[4-(cyclopentylmethoxy)-3-(diethylsulfamoyl)benzoyl]amino]benzoic acid has a molecular weight of 474.58 g/mol, XLogP of 4.24, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopentylmethoxy)-3-(diethylsulfamoyl)benzoyl]amino]benzoic acid is sourced from PubChem (CID 11213649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).