N-[(3-methoxyphenyl)methyl]-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide

C22H24N4O3S — CID 22425728

IUPACN-[(3-methoxyphenyl)methyl]-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide
SMILESCOc1cccc(CNC(=O)CSc2nnc(N3CCOCC3)c3ccccc23)c1
InChIInChI=1S/C22H24N4O3S/c1-28-17-6-4-5-16(13-17)14-23-20(27)15-30-22-19-8-3-2-7-18(19)21(24-25-22)26-9-11-29-12-10-26/h2-8,13H,9-12,14-15H2,1H3,(H,23,27)
InChIKeyXHILIAVHDDOWQT-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.88
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide

N-[(3-methoxyphenyl)methyl]-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide (PubChem CID 22425728) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide
PubChem CID22425728
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide
SMILESCOc1cccc(CNC(=O)CSc2nnc(N3CCOCC3)c3ccccc23)c1
InChIInChI=1S/C22H24N4O3S/c1-28-17-6-4-5-16(13-17)14-23-20(27)15-30-22-19-8-3-2-7-18(19)21(24-25-22)26-9-11-29-12-10-26/h2-8,13H,9-12,14-15H2,1H3,(H,23,27)
InChIKeyXHILIAVHDDOWQT-UHFFFAOYSA-N
XLogP2.88
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-Allylamino-phthalazin-1-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 24793338
N-{6-[({[(3-methoxyphenyl)methyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}-2-methylpropanamide
CID 25855529
N-(6-((2-((3-methoxybenzyl)amino)-2-oxoethyl)thio)pyridazin-3-yl)propionamide
CID 42139239
N-(3,4-Dimethoxyphenyl)-2-{[4-(morpholin-4-YL)phthalazin-1-YL]sulfanyl}acetamide
CID 22425717
N-(2,4-Dimethoxyphenyl)-2-{[4-(morpholin-4-YL)phthalazin-1-YL]sulfanyl}acetamide
CID 22425718
N-(3-Methoxyphenyl)-2-{[4-(morpholin-4-YL)phthalazin-1-YL]sulfanyl}acetamide
CID 22425719
N-(2-Methoxyphenyl)-2-{[4-(morpholin-4-YL)phthalazin-1-YL]sulfanyl}acetamide
CID 22425720
N-(2-Ethoxyphenyl)-2-{[4-(morpholin-4-YL)phthalazin-1-YL]sulfanyl}acetamide
CID 22425724
1-{6-[(3-Fluorophenyl)sulfanyl]pyridazin-3-YL}-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 50743640
2-({6-[4-(4-Fluorophenyl)piperazin-1-YL]pyridazin-3-YL}sulfanyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53108968
N-[(4-Fluorophenyl)methyl]-2-({6-[4-(2-methoxyphenyl)piperazin-1-YL]pyridazin-3-YL}sulfanyl)acetamide
CID 53109125
2-({6-[4-(2-Ethoxyphenyl)piperazin-1-YL]pyridazin-3-YL}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 53109201

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide (CID 22425728) is N-[(3-methoxyphenyl)methyl]-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide is COc1cccc(CNC(=O)CSc2nnc(N3CCOCC3)c3ccccc23)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide?
The InChIKey is XHILIAVHDDOWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-28-17-6-4-5-16(13-17)14-23-20(27)15-30-22-19-8-3-2-7-18(19)21(24-25-22)26-9-11-29-12-10-26/h2-8,13H,9-12,14-15H2,1H3,(H,23,27).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide?
N-[(3-methoxyphenyl)methyl]-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide has a molecular weight of 424.53 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide is sourced from PubChem (CID 22425728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).