methyl 4-[2-morpholin-4-ylethyl(oxan-4-yl)sulfamoyl]benzoate

C19H28N2O6S — CID 90607533

IUPACmethyl 4-[2-morpholin-4-ylethyl(oxan-4-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(CCN2CCOCC2)C2CCOCC2)cc1
InChIInChI=1S/C19H28N2O6S/c1-25-19(22)16-2-4-18(5-3-16)28(23,24)21(17-6-12-26-13-7-17)9-8-20-10-14-27-15-11-20/h2-5,17H,6-15H2,1H3
InChIKeyKFHDKWDHMCPKSD-UHFFFAOYSA-N
MW412.51 g/mol
LogP0.98
Rot. Bonds7

About methyl 4-[2-morpholin-4-ylethyl(oxan-4-yl)sulfamoyl]benzoate

methyl 4-[2-morpholin-4-ylethyl(oxan-4-yl)sulfamoyl]benzoate (PubChem CID 90607533) has the molecular formula C19H28N2O6S and a molecular weight of 412.51 g/mol. Its IUPAC name is methyl 4-[2-morpholin-4-ylethyl(oxan-4-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-morpholin-4-ylethyl(oxan-4-yl)sulfamoyl]benzoate
PubChem CID90607533
Molecular FormulaC19H28N2O6S
Molecular Weight412.51 g/mol
Exact Mass412.17
IUPAC Namemethyl 4-[2-morpholin-4-ylethyl(oxan-4-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(CCN2CCOCC2)C2CCOCC2)cc1
InChIInChI=1S/C19H28N2O6S/c1-25-19(22)16-2-4-18(5-3-16)28(23,24)21(17-6-12-26-13-7-17)9-8-20-10-14-27-15-11-20/h2-5,17H,6-15H2,1H3
InChIKeyKFHDKWDHMCPKSD-UHFFFAOYSA-N
XLogP0.98
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[(1,1-dioxothiolan-3-yl)-(3-morpholin-4-ylpropyl)sulfamoyl]benzoate
CID 55434726
3,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzenesulfonamide
CID 90607489
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)naphthalene-2-sulfonamide
CID 90607494
methyl 3-[(1,1-dioxothiolan-3-yl)-(3-morpholin-4-ylpropyl)sulfamoyl]benzoate
CID 55516389
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 90607520
methyl 5-[methyl(2-morpholin-4-ylethyl)sulfamoyl]pyridine-3-carboxylate
CID 118054973
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)propane-2-sulfonamide
CID 90607519
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-1-phenylmethanesulfonamide
CID 90607497
methyl 4-[cyclohexyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfamoyl]benzoate
CID 1169072
methyl 4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)-(2-morpholin-4-ylethyl)carbamoyl]benzoate
CID 29278634
N-[2-(dimethylamino)ethyl]-4-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 90607179

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-morpholin-4-ylethyl(oxan-4-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-[2-morpholin-4-ylethyl(oxan-4-yl)sulfamoyl]benzoate (CID 90607533) is methyl 4-[2-morpholin-4-ylethyl(oxan-4-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[2-morpholin-4-ylethyl(oxan-4-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[2-morpholin-4-ylethyl(oxan-4-yl)sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)N(CCN2CCOCC2)C2CCOCC2)cc1.
What is the InChIKey of methyl 4-[2-morpholin-4-ylethyl(oxan-4-yl)sulfamoyl]benzoate?
The InChIKey is KFHDKWDHMCPKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O6S/c1-25-19(22)16-2-4-18(5-3-16)28(23,24)21(17-6-12-26-13-7-17)9-8-20-10-14-27-15-11-20/h2-5,17H,6-15H2,1H3.
What are the key properties of methyl 4-[2-morpholin-4-ylethyl(oxan-4-yl)sulfamoyl]benzoate?
methyl 4-[2-morpholin-4-ylethyl(oxan-4-yl)sulfamoyl]benzoate has a molecular weight of 412.51 g/mol, XLogP of 0.98, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-morpholin-4-ylethyl(oxan-4-yl)sulfamoyl]benzoate is sourced from PubChem (CID 90607533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).