(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide

C22H23Cl2N5O4S — CID 162727151

IUPAC(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)n2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)NCCc1ccccn1
InChIInChI=1S/C22H23Cl2N5O4S/c1-3-15-7-8-17(28-21(30)14(2)29-22(31)20(24)18(23)13-26-29)12-19(15)34(32,33)27-11-9-16-6-4-5-10-25-16/h4-8,10,12-14,27H,3,9,11H2,1-2H3,(H,28,30)/t14-/m0/s1
InChIKeyGKPMFCVIRNSXEW-AWEZNQCLSA-N
MW524.43 g/mol
LogP3.23
Rot. Bonds9

About (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide

(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide (PubChem CID 162727151) has the molecular formula C22H23Cl2N5O4S and a molecular weight of 524.43 g/mol. Its IUPAC name is (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide
PubChem CID162727151
Molecular FormulaC22H23Cl2N5O4S
Molecular Weight524.43 g/mol
Exact Mass523.08
IUPAC Name(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)n2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)NCCc1ccccn1
InChIInChI=1S/C22H23Cl2N5O4S/c1-3-15-7-8-17(28-21(30)14(2)29-22(31)20(24)18(23)13-26-29)12-19(15)34(32,33)27-11-9-16-6-4-5-10-25-16/h4-8,10,12-14,27H,3,9,11H2,1-2H3,(H,28,30)/t14-/m0/s1
InChIKeyGKPMFCVIRNSXEW-AWEZNQCLSA-N
XLogP3.23
TPSA123.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide (CID 162727151) is (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide is CCc1ccc(NC(=O)[C@H](C)n2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)NCCc1ccccn1.
What is the InChIKey of (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide?
The InChIKey is GKPMFCVIRNSXEW-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H23Cl2N5O4S/c1-3-15-7-8-17(28-21(30)14(2)29-22(31)20(24)18(23)13-26-29)12-19(15)34(32,33)27-11-9-16-6-4-5-10-25-16/h4-8,10,12-14,27H,3,9,11H2,1-2H3,(H,28,30)/t14-/m0/s1.
What are the key properties of (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide?
(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide has a molecular weight of 524.43 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 162727151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).