propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate

C15H21NO6S — CID 27000014

IUPACpropyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
SMILESCCCOC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C15H21NO6S/c1-3-8-22-15(17)12-4-5-13(20-2)14(11-12)23(18,19)16-6-9-21-10-7-16/h4-5,11H,3,6-10H2,1-2H3
InChIKeyGHLUWMOAQMNULE-UHFFFAOYSA-N
MW343.40 g/mol
LogP1.28
Rot. Bonds6

About propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate

propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate (PubChem CID 27000014) has the molecular formula C15H21NO6S and a molecular weight of 343.40 g/mol. Its IUPAC name is propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Namepropyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
PubChem CID27000014
Molecular FormulaC15H21NO6S
Molecular Weight343.40 g/mol
Exact Mass343.11
IUPAC Namepropyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
SMILESCCCOC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C15H21NO6S/c1-3-8-22-15(17)12-4-5-13(20-2)14(11-12)23(18,19)16-6-9-21-10-7-16/h4-5,11H,3,6-10H2,1-2H3
InChIKeyGHLUWMOAQMNULE-UHFFFAOYSA-N
XLogP1.28
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 4849600
2-(4-methylphenoxy)ethyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 2652455
[2-(4-butylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 42985506
[2-(2,5-diethylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 42986055
[2-(3-ethylanilino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 42971588
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 4854960
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 4857492
2-[ethyl-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 119206282
[(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 8873587
N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892317
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 16569329

Frequently Asked Questions

What is the IUPAC name of propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate (CID 27000014) is propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate is CCCOC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is GHLUWMOAQMNULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO6S/c1-3-8-22-15(17)12-4-5-13(20-2)14(11-12)23(18,19)16-6-9-21-10-7-16/h4-5,11H,3,6-10H2,1-2H3.
What are the key properties of propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 343.40 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 27000014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).