2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]acetamide

C21H26N2O6S — CID 2093858

IUPAC2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C21H26N2O6S/c1-27-18-6-3-16(4-7-18)15-22-21(24)14-17-5-8-19(28-2)20(13-17)30(25,26)23-9-11-29-12-10-23/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,24)
InChIKeyIGNVGJMNSYBYJG-UHFFFAOYSA-N
MW434.51 g/mol
LogP1.58
Rot. Bonds8

About 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]acetamide

2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 2093858) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID2093858
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C21H26N2O6S/c1-27-18-6-3-16(4-7-18)15-22-21(24)14-17-5-8-19(28-2)20(13-17)30(25,26)23-9-11-29-12-10-23/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,24)
InChIKeyIGNVGJMNSYBYJG-UHFFFAOYSA-N
XLogP1.58
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2496330
2-(4-methoxyphenyl)-N-(4-sulfamoylbenzyl)acetamide
CID 4578038
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 4354484
[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 4845868
4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide
CID 2291802
MicroRNA modulator-1
CID 5967303
N-[2-(4-methoxyphenyl)ethyl]-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71456565
2-Benzenesulfonylamino-N-[(4-methoxy-benzylcarbamoyl)-methyl]-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 654623
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1077703
4-methoxy-3-(4-morpholinylsulfonyl)-N-(2-thienylmethyl)benzamide
CID 1081050
N-cyclohexyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 1107083
4-methoxy-N-(3-methylphenyl)-3-(morpholin-4-ylsulfonyl)benzamide
CID 1216502

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 2093858) is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is IGNVGJMNSYBYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-27-18-6-3-16(4-7-18)15-22-21(24)14-17-5-8-19(28-2)20(13-17)30(25,26)23-9-11-29-12-10-23/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 434.51 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 2093858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).