N-(3-acetylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

C21H24N2O6S — CID 4857205

IUPACN-(3-acetylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(C(C)=O)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H24N2O6S/c1-15(24)17-4-3-5-18(14-17)22-21(25)13-16-6-7-19(28-2)20(12-16)30(26,27)23-8-10-29-11-9-23/h3-7,12,14H,8-11,13H2,1-2H3,(H,22,25)
InChIKeyNXTLJOIHMVHRJV-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.10
Rot. Bonds7

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

N-(3-acetylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 4857205) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID4857205
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC NameN-(3-acetylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(C(C)=O)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H24N2O6S/c1-15(24)17-4-3-5-18(14-17)22-21(25)13-16-6-7-19(28-2)20(12-16)30(26,27)23-8-10-29-11-9-23/h3-7,12,14H,8-11,13H2,1-2H3,(H,22,25)
InChIKeyNXTLJOIHMVHRJV-UHFFFAOYSA-N
XLogP2.10
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 4857205) is N-(3-acetylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is COc1ccc(CC(=O)Nc2cccc(C(C)=O)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(3-acetylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is NXTLJOIHMVHRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-15(24)17-4-3-5-18(14-17)22-21(25)13-16-6-7-19(28-2)20(12-16)30(26,27)23-8-10-29-11-9-23/h3-7,12,14H,8-11,13H2,1-2H3,(H,22,25).
What are the key properties of N-(3-acetylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
N-(3-acetylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 432.50 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4857205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).