N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide

C20H24N2O6S — CID 3647605

IUPACN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(C)cc1
InChIInChI=1S/C20H24N2O6S/c1-15-3-5-16(6-4-15)28-14-20(23)21-18-13-17(7-8-19(18)26-2)29(24,25)22-9-11-27-12-10-22/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)
InChIKeyQWTNIHBDXWQNFB-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.04
Rot. Bonds7

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

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide (PubChem CID 3647605) 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-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
PubChem CID3647605
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(C)cc1
InChIInChI=1S/C20H24N2O6S/c1-15-3-5-16(6-4-15)28-14-20(23)21-18-13-17(7-8-19(18)26-2)29(24,25)22-9-11-27-12-10-22/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)
InChIKeyQWTNIHBDXWQNFB-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
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-(4-methylphenoxy)acetamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide (CID 3647605) is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(C)cc1.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide?
The InChIKey is QWTNIHBDXWQNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-15-3-5-16(6-4-15)28-14-20(23)21-18-13-17(7-8-19(18)26-2)29(24,25)22-9-11-27-12-10-22/h3-8,13H,9-12,14H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide?
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide has a molecular weight of 420.49 g/mol, XLogP of 2.04, 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-(4-methylphenoxy)acetamide is sourced from PubChem (CID 3647605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).