ethyl 3-[3-[4-(propylsulfonylamino)-1-pyridin-3-ylbutan-2-yl]phenyl]propanoate

C23H32N2O4S — CID 67671033

IUPACethyl 3-[3-[4-(propylsulfonylamino)-1-pyridin-3-ylbutan-2-yl]phenyl]propanoate
SMILESCCCS(=O)(=O)NCCC(Cc1cccnc1)c1cccc(CCC(=O)OCC)c1
InChIInChI=1S/C23H32N2O4S/c1-3-15-30(27,28)25-14-12-22(17-20-8-6-13-24-18-20)21-9-5-7-19(16-21)10-11-23(26)29-4-2/h5-9,13,16,18,22,25H,3-4,10-12,14-15,17H2,1-2H3
InChIKeyCFLRWUPKJRVOFU-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.62
Rot. Bonds13

About ethyl 3-[3-[4-(propylsulfonylamino)-1-pyridin-3-ylbutan-2-yl]phenyl]propanoate

ethyl 3-[3-[4-(propylsulfonylamino)-1-pyridin-3-ylbutan-2-yl]phenyl]propanoate (PubChem CID 67671033) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is ethyl 3-[3-[4-(propylsulfonylamino)-1-pyridin-3-ylbutan-2-yl]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-[4-(propylsulfonylamino)-1-pyridin-3-ylbutan-2-yl]phenyl]propanoate
PubChem CID67671033
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Nameethyl 3-[3-[4-(propylsulfonylamino)-1-pyridin-3-ylbutan-2-yl]phenyl]propanoate
SMILESCCCS(=O)(=O)NCCC(Cc1cccnc1)c1cccc(CCC(=O)OCC)c1
InChIInChI=1S/C23H32N2O4S/c1-3-15-30(27,28)25-14-12-22(17-20-8-6-13-24-18-20)21-9-5-7-19(16-21)10-11-23(26)29-4-2/h5-9,13,16,18,22,25H,3-4,10-12,14-15,17H2,1-2H3
InChIKeyCFLRWUPKJRVOFU-UHFFFAOYSA-N
XLogP3.62
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[3-[4-(propylsulfonylamino)-1-pyridin-3-ylbutan-2-yl]phenyl]propanoate with MolForge

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Related Compounds

ethyl 3-[3-[2-(chlorosulfonylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate
CID 10669297
N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide
CID 110661317
ethyl 3-(3-propan-2-ylphenyl)propanoate
CID 59134593
ethyl 3-pyridin-3-ylpropanoate;hydrazine;3-pyridin-3-ylpropanehydrazide
CID 159498879
ethyl 3-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-(1-pyridin-3-ylethyl)phenyl]propanoate
CID 10815266
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
2-[4-[4-(3-ethoxy-3-oxopropyl)phenoxy]phenyl]-3-pyridin-3-ylpropanoic acid
CID 59645402
ethyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 60730072
ethyl 3-[3-[2-(3-methylbutanoylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate
CID 19711405
ethyl 4-[(3-aminophenyl)methylsulfonylamino]butanoate
CID 64576918
ethyl 3-[3-(1-bromopent-4-enyl)phenyl]propanoate
CID 171078750
diethyl 2-(1-pyridin-3-ylpropan-2-yl)propanedioate
CID 67382967

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[4-(propylsulfonylamino)-1-pyridin-3-ylbutan-2-yl]phenyl]propanoate?
The IUPAC name of ethyl 3-[3-[4-(propylsulfonylamino)-1-pyridin-3-ylbutan-2-yl]phenyl]propanoate (CID 67671033) is ethyl 3-[3-[4-(propylsulfonylamino)-1-pyridin-3-ylbutan-2-yl]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[3-[4-(propylsulfonylamino)-1-pyridin-3-ylbutan-2-yl]phenyl]propanoate?
The canonical SMILES for ethyl 3-[3-[4-(propylsulfonylamino)-1-pyridin-3-ylbutan-2-yl]phenyl]propanoate is CCCS(=O)(=O)NCCC(Cc1cccnc1)c1cccc(CCC(=O)OCC)c1.
What is the InChIKey of ethyl 3-[3-[4-(propylsulfonylamino)-1-pyridin-3-ylbutan-2-yl]phenyl]propanoate?
The InChIKey is CFLRWUPKJRVOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-3-15-30(27,28)25-14-12-22(17-20-8-6-13-24-18-20)21-9-5-7-19(16-21)10-11-23(26)29-4-2/h5-9,13,16,18,22,25H,3-4,10-12,14-15,17H2,1-2H3.
What are the key properties of ethyl 3-[3-[4-(propylsulfonylamino)-1-pyridin-3-ylbutan-2-yl]phenyl]propanoate?
ethyl 3-[3-[4-(propylsulfonylamino)-1-pyridin-3-ylbutan-2-yl]phenyl]propanoate has a molecular weight of 432.59 g/mol, XLogP of 3.62, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[4-(propylsulfonylamino)-1-pyridin-3-ylbutan-2-yl]phenyl]propanoate is sourced from PubChem (CID 67671033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).