4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide

C25H28N4O2S — CID 6402552

IUPAC4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(-c2ccc(SCc3ccc(C(=O)NCCN4CCOCC4)cc3)nn2)cc1
InChIInChI=1S/C25H28N4O2S/c1-19-2-6-21(7-3-19)23-10-11-24(28-27-23)32-18-20-4-8-22(9-5-20)25(30)26-12-13-29-14-16-31-17-15-29/h2-11H,12-18H2,1H3,(H,26,30)
InChIKeyKONNWAYHYCIBLI-UHFFFAOYSA-N
MW448.59 g/mol
LogP3.81
Rot. Bonds8

About 4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide

4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 6402552) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is 4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID6402552
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC Name4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(-c2ccc(SCc3ccc(C(=O)NCCN4CCOCC4)cc3)nn2)cc1
InChIInChI=1S/C25H28N4O2S/c1-19-2-6-21(7-3-19)23-10-11-24(28-27-23)32-18-20-4-8-22(9-5-20)25(30)26-12-13-29-14-16-31-17-15-29/h2-11H,12-18H2,1H3,(H,26,30)
InChIKeyKONNWAYHYCIBLI-UHFFFAOYSA-N
XLogP3.81
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42827417
N-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide
CID 89495259
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
4-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42754446
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 4582591
N-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide
CID 53098773
5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 53013333
5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide
CID 71688703
3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 134052243
1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
CID 33427522
4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045886

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 6402552) is 4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide is Cc1ccc(-c2ccc(SCc3ccc(C(=O)NCCN4CCOCC4)cc3)nn2)cc1.
What is the InChIKey of 4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is KONNWAYHYCIBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-19-2-6-21(7-3-19)23-10-11-24(28-27-23)32-18-20-4-8-22(9-5-20)25(30)26-12-13-29-14-16-31-17-15-29/h2-11H,12-18H2,1H3,(H,26,30).
What are the key properties of 4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide?
4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 448.59 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 6402552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).