2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

C22H29N3O9S2 — CID 43895655

IUPAC2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)S(C)(=O)=O)c(OC)c1
InChIInChI=1S/C22H29N3O9S2/c1-31-17-6-7-18(20(14-17)33-3)25(35(4,27)28)15-22(26)23-16-5-8-19(32-2)21(13-16)36(29,30)24-9-11-34-12-10-24/h5-8,13-14H,9-12,15H2,1-4H3,(H,23,26)
InChIKeyOKHAIAYZDVFWHX-UHFFFAOYSA-N
MW543.62 g/mol
LogP1.14
Rot. Bonds10

About 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 43895655) has the molecular formula C22H29N3O9S2 and a molecular weight of 543.62 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID43895655
Molecular FormulaC22H29N3O9S2
Molecular Weight543.62 g/mol
Exact Mass543.13
IUPAC Name2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)S(C)(=O)=O)c(OC)c1
InChIInChI=1S/C22H29N3O9S2/c1-31-17-6-7-18(20(14-17)33-3)25(35(4,27)28)15-22(26)23-16-5-8-19(32-2)21(13-16)36(29,30)24-9-11-34-12-10-24/h5-8,13-14H,9-12,15H2,1-4H3,(H,23,26)
InChIKeyOKHAIAYZDVFWHX-UHFFFAOYSA-N
XLogP1.14
TPSA140.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.62
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 30220381
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 43896162
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 43900980
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43896028
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51342756
2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 4289049
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide
CID 8689778
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43894503
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43893348
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide
CID 119677486
2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438277
N-(4-bromophenyl)-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 998604

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 43895655) is 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is COc1ccc(N(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)S(C)(=O)=O)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is OKHAIAYZDVFWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O9S2/c1-31-17-6-7-18(20(14-17)33-3)25(35(4,27)28)15-22(26)23-16-5-8-19(32-2)21(13-16)36(29,30)24-9-11-34-12-10-24/h5-8,13-14H,9-12,15H2,1-4H3,(H,23,26).
What are the key properties of 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 543.62 g/mol, XLogP of 1.14, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 43895655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).