[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate

C20H24ClN3O5S — CID 46609829

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C20H24ClN3O5S/c1-3-24(4-2)30(27,28)17-9-5-15(6-10-17)7-12-20(26)29-14-19(25)23-18-11-8-16(21)13-22-18/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3,(H,22,23,25)
InChIKeyXWLUUBFDDVSCJQ-UHFFFAOYSA-N
MW453.95 g/mol
LogP2.88
Rot. Bonds10

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate (PubChem CID 46609829) has the molecular formula C20H24ClN3O5S and a molecular weight of 453.95 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
PubChem CID46609829
Molecular FormulaC20H24ClN3O5S
Molecular Weight453.95 g/mol
Exact Mass453.11
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C20H24ClN3O5S/c1-3-24(4-2)30(27,28)17-9-5-15(6-10-17)7-12-20(26)29-14-19(25)23-18-11-8-16(21)13-22-18/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3,(H,22,23,25)
InChIKeyXWLUUBFDDVSCJQ-UHFFFAOYSA-N
XLogP2.88
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.95
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-ethylanilino)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 35379939
methyl 3-[[2-[3-[4-(diethylsulfamoyl)phenyl]propanoyloxy]acetyl]amino]thiophene-2-carboxylate
CID 36709924
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 35380229
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2648905
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596098
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8626147
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2128296
4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide
CID 35020823
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2488667
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(benzenesulfonamido)acetate
CID 3532838
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7210203
N-[1-(4-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 43873894

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate (CID 46609829) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate?
The InChIKey is XWLUUBFDDVSCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O5S/c1-3-24(4-2)30(27,28)17-9-5-15(6-10-17)7-12-20(26)29-14-19(25)23-18-11-8-16(21)13-22-18/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3,(H,22,23,25).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate has a molecular weight of 453.95 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate is sourced from PubChem (CID 46609829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).