2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(3-methoxyphenyl)acetamide

C19H21ClN2O6S — CID 30147094

IUPAC2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H21ClN2O6S/c1-26-16-4-2-3-15(12-16)21-19(23)13-28-17-6-5-14(20)11-18(17)29(24,25)22-7-9-27-10-8-22/h2-6,11-12H,7-10,13H2,1H3,(H,21,23)
InChIKeyBFEINYMNKSXCLD-UHFFFAOYSA-N
MW440.91 g/mol
LogP2.39
Rot. Bonds7

About 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(3-methoxyphenyl)acetamide

2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(3-methoxyphenyl)acetamide (PubChem CID 30147094) has the molecular formula C19H21ClN2O6S and a molecular weight of 440.91 g/mol. Its IUPAC name is 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(3-methoxyphenyl)acetamide
PubChem CID30147094
Molecular FormulaC19H21ClN2O6S
Molecular Weight440.91 g/mol
Exact Mass440.08
IUPAC Name2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H21ClN2O6S/c1-26-16-4-2-3-15(12-16)21-19(23)13-28-17-6-5-14(20)11-18(17)29(24,25)22-7-9-27-10-8-22/h2-6,11-12H,7-10,13H2,1H3,(H,21,23)
InChIKeyBFEINYMNKSXCLD-UHFFFAOYSA-N
XLogP2.39
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(3-methoxyphenyl)acetamide (CID 30147094) is 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(3-methoxyphenyl)acetamide?
The InChIKey is BFEINYMNKSXCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O6S/c1-26-16-4-2-3-15(12-16)21-19(23)13-28-17-6-5-14(20)11-18(17)29(24,25)22-7-9-27-10-8-22/h2-6,11-12H,7-10,13H2,1H3,(H,21,23).
What are the key properties of 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(3-methoxyphenyl)acetamide?
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(3-methoxyphenyl)acetamide has a molecular weight of 440.91 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 30147094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).