3,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzenesulfonamide

C19H30N2O6S — CID 90607489

IUPAC3,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCN2CCOCC2)C2CCOCC2)cc1OC
InChIInChI=1S/C19H30N2O6S/c1-24-18-4-3-17(15-19(18)25-2)28(22,23)21(16-5-11-26-12-6-16)8-7-20-9-13-27-14-10-20/h3-4,15-16H,5-14H2,1-2H3
InChIKeyMJNWJIHMILCHHG-UHFFFAOYSA-N
MW414.52 g/mol
LogP1.21
Rot. Bonds8

About 3,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzenesulfonamide

3,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 90607489) has the molecular formula C19H30N2O6S and a molecular weight of 414.52 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzenesulfonamide
PubChem CID90607489
Molecular FormulaC19H30N2O6S
Molecular Weight414.52 g/mol
Exact Mass414.18
IUPAC Name3,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCN2CCOCC2)C2CCOCC2)cc1OC
InChIInChI=1S/C19H30N2O6S/c1-24-18-4-3-17(15-19(18)25-2)28(22,23)21(16-5-11-26-12-6-16)8-7-20-9-13-27-14-10-20/h3-4,15-16H,5-14H2,1-2H3
InChIKeyMJNWJIHMILCHHG-UHFFFAOYSA-N
XLogP1.21
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)naphthalene-2-sulfonamide
CID 90607494
methyl 4-[2-morpholin-4-ylethyl(oxan-4-yl)sulfamoyl]benzoate
CID 90607533
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 90607520
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide
CID 43577523
2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid
CID 60829007
4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 3619541
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43874436
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)propane-2-sulfonamide
CID 90607519
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-1-phenylmethanesulfonamide
CID 90607497
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 7414153
3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 146065152
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
CID 108802636

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzenesulfonamide (CID 90607489) is 3,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(CCN2CCOCC2)C2CCOCC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is MJNWJIHMILCHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O6S/c1-24-18-4-3-17(15-19(18)25-2)28(22,23)21(16-5-11-26-12-6-16)8-7-20-9-13-27-14-10-20/h3-4,15-16H,5-14H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzenesulfonamide?
3,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 414.52 g/mol, XLogP of 1.21, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 90607489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).