2-[2-chloro-4-(6-sulfanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-morpholin-4-ylacetamide

C16H19ClN4O3S — CID 139628608

IUPAC2-[2-chloro-4-(6-sulfanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-morpholin-4-ylacetamide
SMILESO=C(COc1ccc(C2=NNC(=S)CC2)cc1Cl)NN1CCOCC1
InChIInChI=1S/C16H19ClN4O3S/c17-12-9-11(13-2-4-16(25)19-18-13)1-3-14(12)24-10-15(22)20-21-5-7-23-8-6-21/h1,3,9H,2,4-8,10H2,(H,19,25)(H,20,22)
InChIKeyZPVQTWOMIIHPAG-UHFFFAOYSA-N
MW382.87 g/mol
LogP1.50
Rot. Bonds5

About 2-[2-chloro-4-(6-sulfanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-morpholin-4-ylacetamide

2-[2-chloro-4-(6-sulfanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-morpholin-4-ylacetamide (PubChem CID 139628608) has the molecular formula C16H19ClN4O3S and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-[2-chloro-4-(6-sulfanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-morpholin-4-ylacetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(6-sulfanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-morpholin-4-ylacetamide
PubChem CID139628608
Molecular FormulaC16H19ClN4O3S
Molecular Weight382.87 g/mol
Exact Mass382.09
IUPAC Name2-[2-chloro-4-(6-sulfanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-morpholin-4-ylacetamide
SMILESO=C(COc1ccc(C2=NNC(=S)CC2)cc1Cl)NN1CCOCC1
InChIInChI=1S/C16H19ClN4O3S/c17-12-9-11(13-2-4-16(25)19-18-13)1-3-14(12)24-10-15(22)20-21-5-7-23-8-6-21/h1,3,9H,2,4-8,10H2,(H,19,25)(H,20,22)
InChIKeyZPVQTWOMIIHPAG-UHFFFAOYSA-N
XLogP1.50
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetamide
CID 15016355
3-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 15016354
2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-propan-2-ylacetohydrazide
CID 19905297
2-[2-chloro-4-(6-chloro-4-methylpyridazin-3-yl)phenoxy]-N-(2-morpholin-4-ylethyl)acetamide
CID 139628610
2-(2-chloro-4-phenylphenoxy)-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 55549199
2-(2,4-dichlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544150
2-(2-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 35161239
2-(3,4-dimethylphenoxy)-N-morpholin-4-ylacetamide
CID 17443595
ethyl (2S)-2-[[2-[2-chloro-4-(3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)phenoxy]acetyl]amino]-3-phenylpropanoate
CID 14179278
4-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-2,2-dimethylbutanoic acid
CID 15016388
2-(2,4-dichlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1080666
2-[2-chloro-4-[4-(1-morpholin-4-ylethyl)phenyl]phenoxy]acetic acid
CID 122558845

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(6-sulfanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-morpholin-4-ylacetamide?
The IUPAC name of 2-[2-chloro-4-(6-sulfanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-morpholin-4-ylacetamide (CID 139628608) is 2-[2-chloro-4-(6-sulfanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-morpholin-4-ylacetamide.
What is the SMILES notation for 2-[2-chloro-4-(6-sulfanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-morpholin-4-ylacetamide?
The canonical SMILES for 2-[2-chloro-4-(6-sulfanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-morpholin-4-ylacetamide is O=C(COc1ccc(C2=NNC(=S)CC2)cc1Cl)NN1CCOCC1.
What is the InChIKey of 2-[2-chloro-4-(6-sulfanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-morpholin-4-ylacetamide?
The InChIKey is ZPVQTWOMIIHPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3S/c17-12-9-11(13-2-4-16(25)19-18-13)1-3-14(12)24-10-15(22)20-21-5-7-23-8-6-21/h1,3,9H,2,4-8,10H2,(H,19,25)(H,20,22).
What are the key properties of 2-[2-chloro-4-(6-sulfanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-morpholin-4-ylacetamide?
2-[2-chloro-4-(6-sulfanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-morpholin-4-ylacetamide has a molecular weight of 382.87 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(6-sulfanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-morpholin-4-ylacetamide is sourced from PubChem (CID 139628608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).