N-[[5-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide

C17H24N6O3S2 — CID 122342848

IUPACN-[[5-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)s1
InChIInChI=1S/C17H24N6O3S2/c1-13(24)18-12-15-4-5-17(27-15)28(25,26)23-8-6-22(7-9-23)16-10-14(21(2)3)11-19-20-16/h4-5,10-11H,6-9,12H2,1-3H3,(H,18,24)
InChIKeyIEBZOWAMVZJBMF-UHFFFAOYSA-N
MW424.55 g/mol
LogP0.75
Rot. Bonds6

About N-[[5-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide

N-[[5-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide (PubChem CID 122342848) has the molecular formula C17H24N6O3S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[[5-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
PubChem CID122342848
Molecular FormulaC17H24N6O3S2
Molecular Weight424.55 g/mol
Exact Mass424.14
IUPAC NameN-[[5-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)s1
InChIInChI=1S/C17H24N6O3S2/c1-13(24)18-12-15-4-5-17(27-15)28(25,26)23-8-6-22(7-9-23)16-10-14(21(2)3)11-19-20-16/h4-5,10-11H,6-9,12H2,1-3H3,(H,18,24)
InChIKeyIEBZOWAMVZJBMF-UHFFFAOYSA-N
XLogP0.75
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[5-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122355811
N-[[5-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122340614
N-[[5-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122332954
N-[[5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122332471
N-[[5-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122343962
N-[[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122346052
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
N-[[5-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122345605
N-[[5-(1,3-thiazolidin-3-ylsulfonyl)thiophen-2-yl]methyl]acetamide
CID 122332215
N-[[5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 30963356
N-[[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 60516928
1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 154774764

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide (CID 122342848) is N-[[5-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)s1.
What is the InChIKey of N-[[5-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide?
The InChIKey is IEBZOWAMVZJBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3S2/c1-13(24)18-12-15-4-5-17(27-15)28(25,26)23-8-6-22(7-9-23)16-10-14(21(2)3)11-19-20-16/h4-5,10-11H,6-9,12H2,1-3H3,(H,18,24).
What are the key properties of N-[[5-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide?
N-[[5-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide has a molecular weight of 424.55 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 122342848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).