2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide

C28H33N3O7S2 — CID 43897674

IUPAC2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C28H33N3O7S2/c1-21-11-14-23(15-12-21)39(33,34)31(24-9-5-6-10-25(24)37-2)20-28(32)29-22-13-16-26(38-3)27(19-22)40(35,36)30-17-7-4-8-18-30/h5-6,9-16,19H,4,7-8,17-18,20H2,1-3H3,(H,29,32)
InChIKeyXGIVYNXHZWXFPZ-UHFFFAOYSA-N
MW587.72 g/mol
LogP4.02
Rot. Bonds10

About 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide

2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 43897674) has the molecular formula C28H33N3O7S2 and a molecular weight of 587.72 g/mol. Its IUPAC name is 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID43897674
Molecular FormulaC28H33N3O7S2
Molecular Weight587.72 g/mol
Exact Mass587.18
IUPAC Name2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C28H33N3O7S2/c1-21-11-14-23(15-12-21)39(33,34)31(24-9-5-6-10-25(24)37-2)20-28(32)29-22-13-16-26(38-3)27(19-22)40(35,36)30-17-7-4-8-18-30/h5-6,9-16,19H,4,7-8,17-18,20H2,1-3H3,(H,29,32)
InChIKeyXGIVYNXHZWXFPZ-UHFFFAOYSA-N
XLogP4.02
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.72
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43892492
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43893843
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51344518
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43892815
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 92685178
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43894503
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 1163326
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43898819
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43894944
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 43893915
N-(3-chloro-4-methoxyphenyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2280526

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide (CID 43897674) is 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide is COc1ccccc1N(CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is XGIVYNXHZWXFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O7S2/c1-21-11-14-23(15-12-21)39(33,34)31(24-9-5-6-10-25(24)37-2)20-28(32)29-22-13-16-26(38-3)27(19-22)40(35,36)30-17-7-4-8-18-30/h5-6,9-16,19H,4,7-8,17-18,20H2,1-3H3,(H,29,32).
What are the key properties of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 587.72 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 43897674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).