N-cyclohexyl-3-[2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanamide

C21H27N3O4S — CID 22586588

IUPACN-cyclohexyl-3-[2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanamide
SMILESCCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)CCC(=O)NC1CCCCC1
InChIInChI=1S/C21H27N3O4S/c1-2-15-8-9-16(18-10-11-21(26)24-23-18)14-19(15)29(27,28)13-12-20(25)22-17-6-4-3-5-7-17/h8-11,14,17H,2-7,12-13H2,1H3,(H,22,25)(H,24,26)
InChIKeyUSUBHIIIKRRGES-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.61
Rot. Bonds7

About N-cyclohexyl-3-[2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanamide

N-cyclohexyl-3-[2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanamide (PubChem CID 22586588) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-cyclohexyl-3-[2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanamide
PubChem CID22586588
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-cyclohexyl-3-[2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanamide
SMILESCCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)CCC(=O)NC1CCCCC1
InChIInChI=1S/C21H27N3O4S/c1-2-15-8-9-16(18-10-11-21(26)24-23-18)14-19(15)29(27,28)13-12-20(25)22-17-6-4-3-5-7-17/h8-11,14,17H,2-7,12-13H2,1H3,(H,22,25)(H,24,26)
InChIKeyUSUBHIIIKRRGES-UHFFFAOYSA-N
XLogP2.61
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonyl)-N-cyclohexylpropanamide
CID 6458857
N-cyclopentyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
CID 53059980
N-cyclooctyl-3-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]propanamide
CID 126459731
N-cyclohexyl-3-(2,6-diethylanilino)propanamide
CID 109014023
N-(2,5-dimethylphenyl)-2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 53004371
N-cyclopentyl-3-(2,6-diethylanilino)propanamide
CID 109013502
N-cyclohexyl-3-[(2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonyl]propanamide
CID 53122148
3-(benzenesulfonyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide
CID 136664987
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide
CID 110407206
N-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide
CID 20927548
5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 65367205
2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 18438628

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanamide?
The IUPAC name of N-cyclohexyl-3-[2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanamide (CID 22586588) is N-cyclohexyl-3-[2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanamide.
What is the SMILES notation for N-cyclohexyl-3-[2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanamide?
The canonical SMILES for N-cyclohexyl-3-[2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanamide is CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)CCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanamide?
The InChIKey is USUBHIIIKRRGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-2-15-8-9-16(18-10-11-21(26)24-23-18)14-19(15)29(27,28)13-12-20(25)22-17-6-4-3-5-7-17/h8-11,14,17H,2-7,12-13H2,1H3,(H,22,25)(H,24,26).
What are the key properties of N-cyclohexyl-3-[2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanamide?
N-cyclohexyl-3-[2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanamide has a molecular weight of 417.53 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanamide is sourced from PubChem (CID 22586588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).