2-(4-chloro-5-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide

C23H24ClN5O4S — CID 162727733

IUPAC2-(4-chloro-5-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(NC(=O)Cn2ncc(Cl)c(C3CC3)c2=O)cc1S(=O)(=O)NCCc1ccccn1
InChIInChI=1S/C23H24ClN5O4S/c1-15-5-8-18(12-20(15)34(32,33)27-11-9-17-4-2-3-10-25-17)28-21(30)14-29-23(31)22(16-6-7-16)19(24)13-26-29/h2-5,8,10,12-13,16,27H,6-7,9,11,14H2,1H3,(H,28,30)
InChIKeySGPOAAXNOWPHRK-UHFFFAOYSA-N
MW502.00 g/mol
LogP2.64
Rot. Bonds9

About 2-(4-chloro-5-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide

2-(4-chloro-5-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide (PubChem CID 162727733) has the molecular formula C23H24ClN5O4S and a molecular weight of 502.00 g/mol. Its IUPAC name is 2-(4-chloro-5-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-5-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide
PubChem CID162727733
Molecular FormulaC23H24ClN5O4S
Molecular Weight502.00 g/mol
Exact Mass501.12
IUPAC Name2-(4-chloro-5-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(NC(=O)Cn2ncc(Cl)c(C3CC3)c2=O)cc1S(=O)(=O)NCCc1ccccn1
InChIInChI=1S/C23H24ClN5O4S/c1-15-5-8-18(12-20(15)34(32,33)27-11-9-17-4-2-3-10-25-17)28-21(30)14-29-23(31)22(16-6-7-16)19(24)13-26-29/h2-5,8,10,12-13,16,27H,6-7,9,11,14H2,1H3,(H,28,30)
InChIKeySGPOAAXNOWPHRK-UHFFFAOYSA-N
XLogP2.64
TPSA123.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.00
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide
CID 162727394
2-(3,4-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide
CID 162727449
2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[3-(2-pyridin-2-ylethylsulfamoyl)-4-(trifluoromethyl)phenyl]acetamide
CID 162727195
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9492234
N-[3-[(5-chloro-2-pyridinyl)methylsulfamoyl]-4-methylphenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 162728053
2-(4-chloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(3-pyridin-2-ylpropylsulfonyl)phenyl]acetamide
CID 162727152
2-(4-chloro-5-cyano-6-oxopyridazin-1-yl)-N-[4-methyl-3-[2-(2,3,4,5-tetrahydropyridin-2-yl)ethylsulfamoyl]phenyl]acetamide
CID 162728146
(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide
CID 162727151
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide
CID 60599784
2-(5-chloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 155804497
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methylphenyl]acetamide
CID 162727351
5-[5-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-2-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 162727559

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-5-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide (CID 162727733) is 2-(4-chloro-5-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-5-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-5-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide is Cc1ccc(NC(=O)Cn2ncc(Cl)c(C3CC3)c2=O)cc1S(=O)(=O)NCCc1ccccn1.
What is the InChIKey of 2-(4-chloro-5-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide?
The InChIKey is SGPOAAXNOWPHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O4S/c1-15-5-8-18(12-20(15)34(32,33)27-11-9-17-4-2-3-10-25-17)28-21(30)14-29-23(31)22(16-6-7-16)19(24)13-26-29/h2-5,8,10,12-13,16,27H,6-7,9,11,14H2,1H3,(H,28,30).
What are the key properties of 2-(4-chloro-5-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide?
2-(4-chloro-5-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide has a molecular weight of 502.00 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 162727733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).