N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]oxane-4-carboxamide

C17H26N2O5S — CID 113067193

IUPACN-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]oxane-4-carboxamide
SMILESCOc1ccc(CN(CCNC(=O)C2CCOCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H26N2O5S/c1-23-16-5-3-14(4-6-16)13-19(25(2,21)22)10-9-18-17(20)15-7-11-24-12-8-15/h3-6,15H,7-13H2,1-2H3,(H,18,20)
InChIKeyLAPPRHXTJXPVEN-UHFFFAOYSA-N
MW370.47 g/mol
LogP1.00
Rot. Bonds8

About N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]oxane-4-carboxamide

N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]oxane-4-carboxamide (PubChem CID 113067193) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]oxane-4-carboxamide
PubChem CID113067193
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC NameN-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]oxane-4-carboxamide
SMILESCOc1ccc(CN(CCNC(=O)C2CCOCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H26N2O5S/c1-23-16-5-3-14(4-6-16)13-19(25(2,21)22)10-9-18-17(20)15-7-11-24-12-8-15/h3-6,15H,7-13H2,1-2H3,(H,18,20)
InChIKeyLAPPRHXTJXPVEN-UHFFFAOYSA-N
XLogP1.00
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113066986
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclopropanecarboxamide
CID 113067406
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclohexanecarboxamide
CID 113067409
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]oxane-4-carboxamide
CID 113068395
N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide
CID 113067686
N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]-2-phenoxyacetamide
CID 113067176
N-[(6-methoxynaphthalen-2-yl)methyl]oxane-4-carboxamide
CID 30307912
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
N-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide
CID 52572788
N-[(4-methoxyphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113139616
N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]oxane-4-carboxamide
CID 113069640
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide
CID 113068065

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]oxane-4-carboxamide (CID 113067193) is N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]oxane-4-carboxamide is COc1ccc(CN(CCNC(=O)C2CCOCC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]oxane-4-carboxamide?
The InChIKey is LAPPRHXTJXPVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-23-16-5-3-14(4-6-16)13-19(25(2,21)22)10-9-18-17(20)15-7-11-24-12-8-15/h3-6,15H,7-13H2,1-2H3,(H,18,20).
What are the key properties of N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]oxane-4-carboxamide?
N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]oxane-4-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]oxane-4-carboxamide is sourced from PubChem (CID 113067193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).