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

C22H29N3O8S2 — CID 30220381

IUPAC2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H29N3O8S2/c1-4-33-19-8-6-18(7-9-19)25(34(3,27)28)16-22(26)23-17-5-10-20(31-2)21(15-17)35(29,30)24-11-13-32-14-12-24/h5-10,15H,4,11-14,16H2,1-3H3,(H,23,26)
InChIKeyBAJJGFGITYLWAM-UHFFFAOYSA-N
MW527.62 g/mol
LogP1.52
Rot. Bonds10

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

2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 30220381) has the molecular formula C22H29N3O8S2 and a molecular weight of 527.62 g/mol. Its IUPAC name is 2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID30220381
Molecular FormulaC22H29N3O8S2
Molecular Weight527.62 g/mol
Exact Mass527.14
IUPAC Name2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H29N3O8S2/c1-4-33-19-8-6-18(7-9-19)25(34(3,27)28)16-22(26)23-17-5-10-20(31-2)21(15-17)35(29,30)24-11-13-32-14-12-24/h5-10,15H,4,11-14,16H2,1-3H3,(H,23,26)
InChIKeyBAJJGFGITYLWAM-UHFFFAOYSA-N
XLogP1.52
TPSA131.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.62
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 43900980
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 43896162
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-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43895655
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43897789
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43892357
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-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 51342942
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1354356
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 43893915
2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438277

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 30220381) is 2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is CCOc1ccc(N(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is BAJJGFGITYLWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O8S2/c1-4-33-19-8-6-18(7-9-19)25(34(3,27)28)16-22(26)23-17-5-10-20(31-2)21(15-17)35(29,30)24-11-13-32-14-12-24/h5-10,15H,4,11-14,16H2,1-3H3,(H,23,26).
What are the key properties of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 527.62 g/mol, XLogP of 1.52, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 30220381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).