N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide

C20H24N2O6S — CID 7998229

IUPACN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1
InChIInChI=1S/C20H24N2O6S/c1-26-16-5-3-4-15(12-16)13-20(23)21-18-14-17(6-7-19(18)27-2)29(24,25)22-8-10-28-11-9-22/h3-7,12,14H,8-11,13H2,1-2H3,(H,21,23)
InChIKeyOBGGHSUEUCORMK-UHFFFAOYSA-N
MW420.49 g/mol
LogP1.91
Rot. Bonds7

About N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide (PubChem CID 7998229) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide
PubChem CID7998229
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1
InChIInChI=1S/C20H24N2O6S/c1-26-16-5-3-4-15(12-16)13-20(23)21-18-14-17(6-7-19(18)27-2)29(24,25)22-8-10-28-11-9-22/h3-7,12,14H,8-11,13H2,1-2H3,(H,21,23)
InChIKeyOBGGHSUEUCORMK-UHFFFAOYSA-N
XLogP1.91
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide (CID 7998229) is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is OBGGHSUEUCORMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-26-16-5-3-4-15(12-16)13-20(23)21-18-14-17(6-7-19(18)27-2)29(24,25)22-8-10-28-11-9-22/h3-7,12,14H,8-11,13H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide?
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 420.49 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 7998229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).