N-(2,4-dimethoxyphenyl)-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide

C21H21N3O6S — CID 53073490

IUPACN-(2,4-dimethoxyphenyl)-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(C)cc3)ccc2=O)c(OC)c1
InChIInChI=1S/C21H21N3O6S/c1-14-4-7-16(8-5-14)31(27,28)20-10-11-21(26)24(23-20)13-19(25)22-17-9-6-15(29-2)12-18(17)30-3/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyRDXIPDYDRXYGRP-UHFFFAOYSA-N
MW443.48 g/mol
LogP2.04
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide

N-(2,4-dimethoxyphenyl)-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide (PubChem CID 53073490) has the molecular formula C21H21N3O6S and a molecular weight of 443.48 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
PubChem CID53073490
Molecular FormulaC21H21N3O6S
Molecular Weight443.48 g/mol
Exact Mass443.12
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(C)cc3)ccc2=O)c(OC)c1
InChIInChI=1S/C21H21N3O6S/c1-14-4-7-16(8-5-14)31(27,28)20-10-11-21(26)24(23-20)13-19(25)22-17-9-6-15(29-2)12-18(17)30-3/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyRDXIPDYDRXYGRP-UHFFFAOYSA-N
XLogP2.04
TPSA116.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-methoxy-5-methylphenyl)-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073533
N-(2,5-dimethoxyphenyl)-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 86810334
2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53073409
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 7659824
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 41248050
N-cyclopentyl-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073513
N-(2,4-dimethoxyphenyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51048517
N-(2,4-dimethoxyphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 24762127
N-(2,4-dimethoxyphenyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1102420
N-(2,4-dimethoxyphenyl)-2-[4-(2,4-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 52920898
N-(2,5-dimethoxyphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
CID 7672280

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide (CID 53073490) is N-(2,4-dimethoxyphenyl)-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide is COc1ccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(C)cc3)ccc2=O)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The InChIKey is RDXIPDYDRXYGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O6S/c1-14-4-7-16(8-5-14)31(27,28)20-10-11-21(26)24(23-20)13-19(25)22-17-9-6-15(29-2)12-18(17)30-3/h4-12H,13H2,1-3H3,(H,22,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide has a molecular weight of 443.48 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 53073490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).