N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide

C18H24N4O5S — CID 4840413

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CCn2[nH]c(=O)ccc2=O)ccc1C
InChIInChI=1S/C18H24N4O5S/c1-4-21(5-2)28(26,27)15-12-14(7-6-13(15)3)19-16(23)10-11-22-18(25)9-8-17(24)20-22/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyGSKRBMRNGILXNF-UHFFFAOYSA-N
MW408.48 g/mol
LogP0.90
Rot. Bonds8

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide (PubChem CID 4840413) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide
PubChem CID4840413
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CCn2[nH]c(=O)ccc2=O)ccc1C
InChIInChI=1S/C18H24N4O5S/c1-4-21(5-2)28(26,27)15-12-14(7-6-13(15)3)19-16(23)10-11-22-18(25)9-8-17(24)20-22/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyGSKRBMRNGILXNF-UHFFFAOYSA-N
XLogP0.90
TPSA121.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 29356996
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide
CID 98307099
2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 26759612
7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride
CID 119674944
2-(4-chlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 7689008
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 30837665
methyl 3-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]sulfanylpropanoate
CID 8785479
3-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-iodophenyl)propanamide
CID 40688096
3-(3,6-dioxo-1H-pyridazin-2-yl)-N-phenylpropanamide
CID 40688091
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56511573
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30837672

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide (CID 4840413) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)CCn2[nH]c(=O)ccc2=O)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide?
The InChIKey is GSKRBMRNGILXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-4-21(5-2)28(26,27)15-12-14(7-6-13(15)3)19-16(23)10-11-22-18(25)9-8-17(24)20-22/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide has a molecular weight of 408.48 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide is sourced from PubChem (CID 4840413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).