2-(2-aminoethoxy)-3-ethyl-6-[(2-propylphenyl)sulfonylamino]benzoic acid

C20H26N2O5S — CID 23647778

IUPAC2-(2-aminoethoxy)-3-ethyl-6-[(2-propylphenyl)sulfonylamino]benzoic acid
SMILESCCCc1ccccc1S(=O)(=O)Nc1ccc(CC)c(OCCN)c1C(=O)O
InChIInChI=1S/C20H26N2O5S/c1-3-7-15-8-5-6-9-17(15)28(25,26)22-16-11-10-14(4-2)19(27-13-12-21)18(16)20(23)24/h5-6,8-11,22H,3-4,7,12-13,21H2,1-2H3,(H,23,24)
InChIKeyHEEDCOFEALNFPX-UHFFFAOYSA-N
MW406.50 g/mol
LogP3.04
Rot. Bonds10

About 2-(2-aminoethoxy)-3-ethyl-6-[(2-propylphenyl)sulfonylamino]benzoic acid

2-(2-aminoethoxy)-3-ethyl-6-[(2-propylphenyl)sulfonylamino]benzoic acid (PubChem CID 23647778) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-3-ethyl-6-[(2-propylphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-(2-aminoethoxy)-3-ethyl-6-[(2-propylphenyl)sulfonylamino]benzoic acid
PubChem CID23647778
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name2-(2-aminoethoxy)-3-ethyl-6-[(2-propylphenyl)sulfonylamino]benzoic acid
SMILESCCCc1ccccc1S(=O)(=O)Nc1ccc(CC)c(OCCN)c1C(=O)O
InChIInChI=1S/C20H26N2O5S/c1-3-7-15-8-5-6-9-17(15)28(25,26)22-16-11-10-14(4-2)19(27-13-12-21)18(16)20(23)24/h5-6,8-11,22H,3-4,7,12-13,21H2,1-2H3,(H,23,24)
InChIKeyHEEDCOFEALNFPX-UHFFFAOYSA-N
XLogP3.04
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-3-ethyl-6-[(2-propylphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 2-(2-aminoethoxy)-3-ethyl-6-[(2-propylphenyl)sulfonylamino]benzoic acid (CID 23647778) is 2-(2-aminoethoxy)-3-ethyl-6-[(2-propylphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-(2-aminoethoxy)-3-ethyl-6-[(2-propylphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-(2-aminoethoxy)-3-ethyl-6-[(2-propylphenyl)sulfonylamino]benzoic acid is CCCc1ccccc1S(=O)(=O)Nc1ccc(CC)c(OCCN)c1C(=O)O.
What is the InChIKey of 2-(2-aminoethoxy)-3-ethyl-6-[(2-propylphenyl)sulfonylamino]benzoic acid?
The InChIKey is HEEDCOFEALNFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-3-7-15-8-5-6-9-17(15)28(25,26)22-16-11-10-14(4-2)19(27-13-12-21)18(16)20(23)24/h5-6,8-11,22H,3-4,7,12-13,21H2,1-2H3,(H,23,24).
What are the key properties of 2-(2-aminoethoxy)-3-ethyl-6-[(2-propylphenyl)sulfonylamino]benzoic acid?
2-(2-aminoethoxy)-3-ethyl-6-[(2-propylphenyl)sulfonylamino]benzoic acid has a molecular weight of 406.50 g/mol, XLogP of 3.04, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-3-ethyl-6-[(2-propylphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 23647778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).