ethyl 3-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-pyridin-3-yloxyphenyl]propanoate

C24H25ClN2O5S — CID 10553038

IUPACethyl 3-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-pyridin-3-yloxyphenyl]propanoate
SMILESCCOC(=O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(Oc2cccnc2)c1
InChIInChI=1S/C24H25ClN2O5S/c1-2-31-24(28)10-5-18-14-19(16-22(15-18)32-21-4-3-12-26-17-21)11-13-27-33(29,30)23-8-6-20(25)7-9-23/h3-4,6-9,12,14-17,27H,2,5,10-11,13H2,1H3
InChIKeyOBDJCOIFQGXYIF-UHFFFAOYSA-N
MW488.99 g/mol
LogP4.54
Rot. Bonds11

About ethyl 3-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-pyridin-3-yloxyphenyl]propanoate

ethyl 3-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-pyridin-3-yloxyphenyl]propanoate (PubChem CID 10553038) has the molecular formula C24H25ClN2O5S and a molecular weight of 488.99 g/mol. Its IUPAC name is ethyl 3-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-pyridin-3-yloxyphenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-pyridin-3-yloxyphenyl]propanoate
PubChem CID10553038
Molecular FormulaC24H25ClN2O5S
Molecular Weight488.99 g/mol
Exact Mass488.12
IUPAC Nameethyl 3-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-pyridin-3-yloxyphenyl]propanoate
SMILESCCOC(=O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(Oc2cccnc2)c1
InChIInChI=1S/C24H25ClN2O5S/c1-2-31-24(28)10-5-18-14-19(16-22(15-18)32-21-4-3-12-26-17-21)11-13-27-33(29,30)23-8-6-20(25)7-9-23/h3-4,6-9,12,14-17,27H,2,5,10-11,13H2,1H3
InChIKeyOBDJCOIFQGXYIF-UHFFFAOYSA-N
XLogP4.54
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.99
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-pyridin-3-yloxyphenyl]propanoate?
The IUPAC name of ethyl 3-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-pyridin-3-yloxyphenyl]propanoate (CID 10553038) is ethyl 3-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-pyridin-3-yloxyphenyl]propanoate.
What is the SMILES notation for ethyl 3-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-pyridin-3-yloxyphenyl]propanoate?
The canonical SMILES for ethyl 3-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-pyridin-3-yloxyphenyl]propanoate is CCOC(=O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(Oc2cccnc2)c1.
What is the InChIKey of ethyl 3-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-pyridin-3-yloxyphenyl]propanoate?
The InChIKey is OBDJCOIFQGXYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O5S/c1-2-31-24(28)10-5-18-14-19(16-22(15-18)32-21-4-3-12-26-17-21)11-13-27-33(29,30)23-8-6-20(25)7-9-23/h3-4,6-9,12,14-17,27H,2,5,10-11,13H2,1H3.
What are the key properties of ethyl 3-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-pyridin-3-yloxyphenyl]propanoate?
ethyl 3-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-pyridin-3-yloxyphenyl]propanoate has a molecular weight of 488.99 g/mol, XLogP of 4.54, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-pyridin-3-yloxyphenyl]propanoate is sourced from PubChem (CID 10553038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).