2-(4-methoxyphenoxy)ethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate

C21H25NO7S — CID 2652262

IUPAC2-(4-methoxyphenoxy)ethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccc(OCCOC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1
InChIInChI=1S/C21H25NO7S/c1-16-3-8-19(30(24,25)22-9-11-27-12-10-22)15-20(16)21(23)29-14-13-28-18-6-4-17(26-2)5-7-18/h3-8,15H,9-14H2,1-2H3
InChIKeyCGKFMDPAWUMDKJ-UHFFFAOYSA-N
MW435.50 g/mol
LogP2.26
Rot. Bonds8

About 2-(4-methoxyphenoxy)ethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate

2-(4-methoxyphenoxy)ethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 2652262) has the molecular formula C21H25NO7S and a molecular weight of 435.50 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)ethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)ethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
PubChem CID2652262
Molecular FormulaC21H25NO7S
Molecular Weight435.50 g/mol
Exact Mass435.14
IUPAC Name2-(4-methoxyphenoxy)ethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccc(OCCOC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1
InChIInChI=1S/C21H25NO7S/c1-16-3-8-19(30(24,25)22-9-11-27-12-10-22)15-20(16)21(23)29-14-13-28-18-6-4-17(26-2)5-7-18/h3-8,15H,9-14H2,1-2H3
InChIKeyCGKFMDPAWUMDKJ-UHFFFAOYSA-N
XLogP2.26
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenoxy)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2495575
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 55316042
2-(4-methoxyphenyl)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2662285
(2-methoxy-2-oxoethyl) 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 16568663
(4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16578079
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 3-methylfuran-2-carboxylate
CID 27198916
(4-cyanophenyl) 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 7913061
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 55962001
(4-bromophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2715867
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 92678124
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 16528817
N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide
CID 31285060

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)ethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of 2-(4-methoxyphenoxy)ethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate (CID 2652262) is 2-(4-methoxyphenoxy)ethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for 2-(4-methoxyphenoxy)ethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for 2-(4-methoxyphenoxy)ethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate is COc1ccc(OCCOC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)ethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is CGKFMDPAWUMDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO7S/c1-16-3-8-19(30(24,25)22-9-11-27-12-10-22)15-20(16)21(23)29-14-13-28-18-6-4-17(26-2)5-7-18/h3-8,15H,9-14H2,1-2H3.
What are the key properties of 2-(4-methoxyphenoxy)ethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
2-(4-methoxyphenoxy)ethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 435.50 g/mol, XLogP of 2.26, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)ethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2652262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).