N-[3-[4-(methoxymethyl)-6-oxo-1H-pyridazin-3-yl]-4-phenoxyphenyl]-N-methylmethanesulfonamide

C20H21N3O5S — CID 90033268

IUPACN-[3-[4-(methoxymethyl)-6-oxo-1H-pyridazin-3-yl]-4-phenoxyphenyl]-N-methylmethanesulfonamide
SMILESCOCc1cc(=O)[nH]nc1-c1cc(N(C)S(C)(=O)=O)ccc1Oc1ccccc1
InChIInChI=1S/C20H21N3O5S/c1-23(29(3,25)26)15-9-10-18(28-16-7-5-4-6-8-16)17(12-15)20-14(13-27-2)11-19(24)21-22-20/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyHWPUGEOUHGHPNK-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.77
Rot. Bonds7

About N-[3-[4-(methoxymethyl)-6-oxo-1H-pyridazin-3-yl]-4-phenoxyphenyl]-N-methylmethanesulfonamide

N-[3-[4-(methoxymethyl)-6-oxo-1H-pyridazin-3-yl]-4-phenoxyphenyl]-N-methylmethanesulfonamide (PubChem CID 90033268) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[3-[4-(methoxymethyl)-6-oxo-1H-pyridazin-3-yl]-4-phenoxyphenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(methoxymethyl)-6-oxo-1H-pyridazin-3-yl]-4-phenoxyphenyl]-N-methylmethanesulfonamide
PubChem CID90033268
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC NameN-[3-[4-(methoxymethyl)-6-oxo-1H-pyridazin-3-yl]-4-phenoxyphenyl]-N-methylmethanesulfonamide
SMILESCOCc1cc(=O)[nH]nc1-c1cc(N(C)S(C)(=O)=O)ccc1Oc1ccccc1
InChIInChI=1S/C20H21N3O5S/c1-23(29(3,25)26)15-9-10-18(28-16-7-5-4-6-8-16)17(12-15)20-14(13-27-2)11-19(24)21-22-20/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyHWPUGEOUHGHPNK-UHFFFAOYSA-N
XLogP2.77
TPSA101.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methyl-6-oxo-1H-pyridazin-3-yl)-4-phenoxybenzamide
CID 90017984
N-(5-chloro-2-phenoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100787270
4-(ethoxymethyl)-3-phenyl-1H-pyridazin-6-one
CID 10513640
3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one
CID 18759983
ethyl 2-[3-[2-[[methoxycarbonyl(1-phenylpropan-2-yl)amino]methyl]-4-[methyl(methylsulfonyl)amino]phenoxy]phenyl]propanoate
CID 76742156
N-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide
CID 117419923
1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylic acid
CID 50972951
N-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;hydrochloride
CID 22882826
N-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-N-methylmethanesulfonamide;hydrochloride
CID 19696613
6-methoxycarbonyl-3-methyl-1-[5-[methylsulfonylmethyl(sulfino)amino]-2-phenoxyphenyl]-4-oxo-2-(2-trimethylsilylethoxymethyl)-5H-pyrrolo[3,4-c]pyridine
CID 90386943
(3R,4S,5S,6S)-6-benzhydryl-5-[[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]methylamino]-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 57035720
N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 23740639

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(methoxymethyl)-6-oxo-1H-pyridazin-3-yl]-4-phenoxyphenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-[4-(methoxymethyl)-6-oxo-1H-pyridazin-3-yl]-4-phenoxyphenyl]-N-methylmethanesulfonamide (CID 90033268) is N-[3-[4-(methoxymethyl)-6-oxo-1H-pyridazin-3-yl]-4-phenoxyphenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-[4-(methoxymethyl)-6-oxo-1H-pyridazin-3-yl]-4-phenoxyphenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-[4-(methoxymethyl)-6-oxo-1H-pyridazin-3-yl]-4-phenoxyphenyl]-N-methylmethanesulfonamide is COCc1cc(=O)[nH]nc1-c1cc(N(C)S(C)(=O)=O)ccc1Oc1ccccc1.
What is the InChIKey of N-[3-[4-(methoxymethyl)-6-oxo-1H-pyridazin-3-yl]-4-phenoxyphenyl]-N-methylmethanesulfonamide?
The InChIKey is HWPUGEOUHGHPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-23(29(3,25)26)15-9-10-18(28-16-7-5-4-6-8-16)17(12-15)20-14(13-27-2)11-19(24)21-22-20/h4-12H,13H2,1-3H3,(H,21,24).
What are the key properties of N-[3-[4-(methoxymethyl)-6-oxo-1H-pyridazin-3-yl]-4-phenoxyphenyl]-N-methylmethanesulfonamide?
N-[3-[4-(methoxymethyl)-6-oxo-1H-pyridazin-3-yl]-4-phenoxyphenyl]-N-methylmethanesulfonamide has a molecular weight of 415.47 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(methoxymethyl)-6-oxo-1H-pyridazin-3-yl]-4-phenoxyphenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 90033268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).