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

C22H28N2O7S — CID 43873383

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
SMILESCOc1ccc(C(C)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC
InChIInChI=1S/C22H28N2O7S/c1-16(17-4-9-20(28-2)21(14-17)29-3)23-22(25)15-31-18-5-7-19(8-6-18)32(26,27)24-10-12-30-13-11-24/h4-9,14,16H,10-13,15H2,1-3H3,(H,23,25)
InChIKeyNEJGQJTYZHIEBG-UHFFFAOYSA-N
MW464.54 g/mol
LogP1.98
Rot. Bonds9

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

N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide (PubChem CID 43873383) has the molecular formula C22H28N2O7S and a molecular weight of 464.54 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
PubChem CID43873383
Molecular FormulaC22H28N2O7S
Molecular Weight464.54 g/mol
Exact Mass464.16
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
SMILESCOc1ccc(C(C)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC
InChIInChI=1S/C22H28N2O7S/c1-16(17-4-9-20(28-2)21(14-17)29-3)23-22(25)15-31-18-5-7-19(8-6-18)32(26,27)24-10-12-30-13-11-24/h4-9,14,16H,10-13,15H2,1-3H3,(H,23,25)
InChIKeyNEJGQJTYZHIEBG-UHFFFAOYSA-N
XLogP1.98
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28552166
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 55397390
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 7639683
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43900449
N-(2-methyl-4-oxopentan-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 55578275
1-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9331575
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43873697
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43873489
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 43873731
N-(3-chloro-4-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 27017330
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30402252
2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329495

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide (CID 43873383) is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide is COc1ccc(C(C)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The InChIKey is NEJGQJTYZHIEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O7S/c1-16(17-4-9-20(28-2)21(14-17)29-3)23-22(25)15-31-18-5-7-19(8-6-18)32(26,27)24-10-12-30-13-11-24/h4-9,14,16H,10-13,15H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide has a molecular weight of 464.54 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 43873383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).