N-(2-methoxy-5-methylphenyl)-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide

C21H21N3O5S — CID 53073533

IUPACN-(2-methoxy-5-methylphenyl)-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1nc(S(=O)(=O)c2cccc(C)c2)ccc1=O
InChIInChI=1S/C21H21N3O5S/c1-14-5-4-6-16(11-14)30(27,28)20-9-10-21(26)24(23-20)13-19(25)22-17-12-15(2)7-8-18(17)29-3/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyNNCOOPMJZMHICS-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.34
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide

N-(2-methoxy-5-methylphenyl)-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide (PubChem CID 53073533) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
PubChem CID53073533
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1nc(S(=O)(=O)c2cccc(C)c2)ccc1=O
InChIInChI=1S/C21H21N3O5S/c1-14-5-4-6-16(11-14)30(27,28)20-9-10-21(26)24(23-20)13-19(25)22-17-12-15(2)7-8-18(17)29-3/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyNNCOOPMJZMHICS-UHFFFAOYSA-N
XLogP2.34
TPSA107.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide
CID 53073644
N-(2,5-dimethoxyphenyl)-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 86810334
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
2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 53073514
N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 16811043
2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 50812995
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 50928632
N-(2-methoxy-5-methylphenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996806
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53073409
N-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083438

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide (CID 53073533) is N-(2-methoxy-5-methylphenyl)-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide is COc1ccc(C)cc1NC(=O)Cn1nc(S(=O)(=O)c2cccc(C)c2)ccc1=O.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The InChIKey is NNCOOPMJZMHICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-14-5-4-6-16(11-14)30(27,28)20-9-10-21(26)24(23-20)13-19(25)22-17-12-15(2)7-8-18(17)29-3/h4-12H,13H2,1-3H3,(H,22,25).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
N-(2-methoxy-5-methylphenyl)-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide has a molecular weight of 427.48 g/mol, XLogP of 2.34, 6 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-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 53073533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).