N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide

C23H25N3O5S — CID 53073644

IUPACN-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1nc(S(=O)(=O)c2ccc(C(C)C)cc2)ccc1=O
InChIInChI=1S/C23H25N3O5S/c1-15(2)17-6-8-18(9-7-17)32(29,30)22-11-12-23(28)26(25-22)14-21(27)24-19-13-16(3)5-10-20(19)31-4/h5-13,15H,14H2,1-4H3,(H,24,27)
InChIKeyHASFNPHOCMLUKT-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.16
Rot. Bonds7

About N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide

N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide (PubChem CID 53073644) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide
PubChem CID53073644
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1nc(S(=O)(=O)c2ccc(C(C)C)cc2)ccc1=O
InChIInChI=1S/C23H25N3O5S/c1-15(2)17-6-8-18(9-7-17)32(29,30)22-11-12-23(28)26(25-22)14-21(27)24-19-13-16(3)5-10-20(19)31-4/h5-13,15H,14H2,1-4H3,(H,24,27)
InChIKeyHASFNPHOCMLUKT-UHFFFAOYSA-N
XLogP3.16
TPSA107.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073533
N-(3-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide
CID 53073682
N-(2,4-dimethoxyphenyl)-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073490
2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 7666344
N-(2,5-dimethoxyphenyl)-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 86810334
N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 16811043
2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53073409
N-(2-methoxy-5-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 37471423
2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 50812995
N-ethyl-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]-N-phenylacetamide
CID 83273435
2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-[(2S)-butan-2-yl]acetamide
CID 95071817
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide (CID 53073644) is N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide is COc1ccc(C)cc1NC(=O)Cn1nc(S(=O)(=O)c2ccc(C(C)C)cc2)ccc1=O.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide?
The InChIKey is HASFNPHOCMLUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-15(2)17-6-8-18(9-7-17)32(29,30)22-11-12-23(28)26(25-22)14-21(27)24-19-13-16(3)5-10-20(19)31-4/h5-13,15H,14H2,1-4H3,(H,24,27).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide?
N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide has a molecular weight of 455.54 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide is sourced from PubChem (CID 53073644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).