N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide

C22H28N2O5S — CID 55397390

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
SMILESCc1ccc(C(C)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C
InChIInChI=1S/C22H28N2O5S/c1-16-4-5-19(14-17(16)2)18(3)23-22(25)15-29-20-6-8-21(9-7-20)30(26,27)24-10-12-28-13-11-24/h4-9,14,18H,10-13,15H2,1-3H3,(H,23,25)
InChIKeyZJGYUTFBMNWWBU-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.58
Rot. Bonds7

About N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide

N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide (PubChem CID 55397390) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
PubChem CID55397390
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
SMILESCc1ccc(C(C)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C
InChIInChI=1S/C22H28N2O5S/c1-16-4-5-19(14-17(16)2)18(3)23-22(25)15-29-20-6-8-21(9-7-20)30(26,27)24-10-12-28-13-11-24/h4-9,14,18H,10-13,15H2,1-3H3,(H,23,25)
InChIKeyZJGYUTFBMNWWBU-UHFFFAOYSA-N
XLogP2.58
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 43873383
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 7639683
N-[1-(3,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43901680
N-(2-methyl-4-oxopentan-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 55578275
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28552166
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 28555474
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43873489
N-(2-methoxyethyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2320120
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 43873731
2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide
CID 6491400
N-(4-methyl-3-sulfamoylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30835139

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide (CID 55397390) is N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide is Cc1ccc(C(C)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The InChIKey is ZJGYUTFBMNWWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-16-4-5-19(14-17(16)2)18(3)23-22(25)15-29-20-6-8-21(9-7-20)30(26,27)24-10-12-28-13-11-24/h4-9,14,18H,10-13,15H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide has a molecular weight of 432.54 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 55397390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).