N-(4-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide

C19H22N2O5S — CID 2319561

IUPACN-(4-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-15-2-4-16(5-3-15)20-19(22)14-26-17-6-8-18(9-7-17)27(23,24)21-10-12-25-13-11-21/h2-9H,10-14H2,1H3,(H,20,22)
InChIKeyJTYRJSDKWQYIEE-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.03
Rot. Bonds6

About N-(4-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide

N-(4-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide (PubChem CID 2319561) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
PubChem CID2319561
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-(4-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-15-2-4-16(5-3-15)20-19(22)14-26-17-6-8-18(9-7-17)27(23,24)21-10-12-25-13-11-21/h2-9H,10-14H2,1H3,(H,20,22)
InChIKeyJTYRJSDKWQYIEE-UHFFFAOYSA-N
XLogP2.03
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide (CID 2319561) is N-(4-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide is Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The InChIKey is JTYRJSDKWQYIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-15-2-4-16(5-3-15)20-19(22)14-26-17-6-8-18(9-7-17)27(23,24)21-10-12-25-13-11-21/h2-9H,10-14H2,1H3,(H,20,22).
What are the key properties of N-(4-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
N-(4-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide has a molecular weight of 390.46 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 2319561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).