N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-6-oxo-1-propylpyridazine-3-carboxamide

C21H28N4O4S — CID 31305119

IUPACN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)ccc1=O
InChIInChI=1S/C21H28N4O4S/c1-3-15-25-20(26)14-13-19(23-25)21(27)22-16-9-11-18(12-10-16)30(28,29)24(2)17-7-5-4-6-8-17/h9-14,17H,3-8,15H2,1-2H3,(H,22,27)
InChIKeyNHEIMZHPGGIGBJ-UHFFFAOYSA-N
MW432.55 g/mol
LogP2.86
Rot. Bonds7

About N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 31305119) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID31305119
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC NameN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)ccc1=O
InChIInChI=1S/C21H28N4O4S/c1-3-15-25-20(26)14-13-19(23-25)21(27)22-16-9-11-18(12-10-16)30(28,29)24(2)17-7-5-4-6-8-17/h9-14,17H,3-8,15H2,1-2H3,(H,22,27)
InChIKeyNHEIMZHPGGIGBJ-UHFFFAOYSA-N
XLogP2.86
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyclopentylsulfanylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 55599425
N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 51956830
N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 39724166
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224420
N-[4-[methyl-(1-propylpiperidin-4-yl)sulfamoyl]phenyl]propanamide
CID 49243207
[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
CID 135231517
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55333038
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 33297886
N-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 111426020
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide
CID 124808882
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 4777920

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 31305119) is N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)ccc1=O.
What is the InChIKey of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is NHEIMZHPGGIGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-3-15-25-20(26)14-13-19(23-25)21(27)22-16-9-11-18(12-10-16)30(28,29)24(2)17-7-5-4-6-8-17/h9-14,17H,3-8,15H2,1-2H3,(H,22,27).
What are the key properties of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 31305119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).