N-[[5-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide

C18H23N7O3S2 — CID 122293252

IUPACN-[[5-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NCCNc2ccc(-n3nc(C)cc3C)nn2)s1
InChIInChI=1S/C18H23N7O3S2/c1-12-10-13(2)25(24-12)17-6-5-16(22-23-17)19-8-9-21-30(27,28)18-7-4-15(29-18)11-20-14(3)26/h4-7,10,21H,8-9,11H2,1-3H3,(H,19,22)(H,20,26)
InChIKeyZDKDZNYEBLELDW-UHFFFAOYSA-N
MW449.56 g/mol
LogP1.37
Rot. Bonds9

About N-[[5-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide

N-[[5-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide (PubChem CID 122293252) has the molecular formula C18H23N7O3S2 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-[[5-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
PubChem CID122293252
Molecular FormulaC18H23N7O3S2
Molecular Weight449.56 g/mol
Exact Mass449.13
IUPAC NameN-[[5-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NCCNc2ccc(-n3nc(C)cc3C)nn2)s1
InChIInChI=1S/C18H23N7O3S2/c1-12-10-13(2)25(24-12)17-6-5-16(22-23-17)19-8-9-21-30(27,28)18-7-4-15(29-18)11-20-14(3)26/h4-7,10,21H,8-9,11H2,1-3H3,(H,19,22)(H,20,26)
InChIKeyZDKDZNYEBLELDW-UHFFFAOYSA-N
XLogP1.37
TPSA130.90 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 16654431
N-[[5-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122293527
N-[4-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]-3-methylphenyl]acetamide
CID 122293238
N-[[5-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122289533
N-[[5-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122308770
5-chloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-methylbenzenesulfonamide
CID 122293202
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-4-phenylbenzenesulfonamide
CID 122293009
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 56699508
3-chloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-4-methylbenzenesulfonamide
CID 122293264
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]naphthalene-1-sulfonamide
CID 122293227
2,4-dichloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-methylbenzenesulfonamide
CID 122293208
N-[[5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122292418

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide (CID 122293252) is N-[[5-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)NCCNc2ccc(-n3nc(C)cc3C)nn2)s1.
What is the InChIKey of N-[[5-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is ZDKDZNYEBLELDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O3S2/c1-12-10-13(2)25(24-12)17-6-5-16(22-23-17)19-8-9-21-30(27,28)18-7-4-15(29-18)11-20-14(3)26/h4-7,10,21H,8-9,11H2,1-3H3,(H,19,22)(H,20,26).
What are the key properties of N-[[5-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 449.56 g/mol, XLogP of 1.37, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 122293252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).