2-(4-methoxyphenyl)ethyl 3-morpholin-4-ylsulfonylbenzoate

C20H23NO6S — CID 2662298

IUPAC2-(4-methoxyphenyl)ethyl 3-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccc(CCOC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C20H23NO6S/c1-25-18-7-5-16(6-8-18)9-12-27-20(22)17-3-2-4-19(15-17)28(23,24)21-10-13-26-14-11-21/h2-8,15H,9-14H2,1H3
InChIKeyOHNRTZRUTVAMIY-UHFFFAOYSA-N
MW405.47 g/mol
LogP2.12
Rot. Bonds7

About 2-(4-methoxyphenyl)ethyl 3-morpholin-4-ylsulfonylbenzoate

2-(4-methoxyphenyl)ethyl 3-morpholin-4-ylsulfonylbenzoate (PubChem CID 2662298) has the molecular formula C20H23NO6S and a molecular weight of 405.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)ethyl 3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name2-(4-methoxyphenyl)ethyl 3-morpholin-4-ylsulfonylbenzoate
PubChem CID2662298
Molecular FormulaC20H23NO6S
Molecular Weight405.47 g/mol
Exact Mass405.12
IUPAC Name2-(4-methoxyphenyl)ethyl 3-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccc(CCOC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C20H23NO6S/c1-25-18-7-5-16(6-8-18)9-12-27-20(22)17-3-2-4-19(15-17)28(23,24)21-10-13-26-14-11-21/h2-8,15H,9-14H2,1H3
InChIKeyOHNRTZRUTVAMIY-UHFFFAOYSA-N
XLogP2.12
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2662285
N-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 52713270
2-(4-fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 7699330
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 55313560
ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 793747
N'-[2-(4-methoxyphenyl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 43002307
2-phenylethyl 3-piperidin-1-ylsulfonylbenzoate
CID 55334950
(4-methoxyphenyl)methyl (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoate
CID 16577345
phenacyl 3-morpholin-4-ylsulfonylbenzoate
CID 1124162
methyl 3-(3-morpholin-4-ylsulfonylbenzoyl)oxybenzoate
CID 7924246
N'-[2-(4-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 26654349
phenyl 3-morpholin-4-ylsulfonylbenzoate
CID 2679267

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)ethyl 3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of 2-(4-methoxyphenyl)ethyl 3-morpholin-4-ylsulfonylbenzoate (CID 2662298) is 2-(4-methoxyphenyl)ethyl 3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for 2-(4-methoxyphenyl)ethyl 3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for 2-(4-methoxyphenyl)ethyl 3-morpholin-4-ylsulfonylbenzoate is COc1ccc(CCOC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)ethyl 3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is OHNRTZRUTVAMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6S/c1-25-18-7-5-16(6-8-18)9-12-27-20(22)17-3-2-4-19(15-17)28(23,24)21-10-13-26-14-11-21/h2-8,15H,9-14H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)ethyl 3-morpholin-4-ylsulfonylbenzoate?
2-(4-methoxyphenyl)ethyl 3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 405.47 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)ethyl 3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2662298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).