N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide

C13H20N2O5S — CID 146074971

IUPACN-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide
SMILESCOC1(CNC(=O)c2ccco2)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H20N2O5S/c1-19-13(5-7-15(8-6-13)21(2,17)18)10-14-12(16)11-4-3-9-20-11/h3-4,9H,5-8,10H2,1-2H3,(H,14,16)
InChIKeyIKVWFJIWGYNHJX-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.45
Rot. Bonds5

About N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide

N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide (PubChem CID 146074971) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide
PubChem CID146074971
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC NameN-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide
SMILESCOC1(CNC(=O)c2ccco2)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H20N2O5S/c1-19-13(5-7-15(8-6-13)21(2,17)18)10-14-12(16)11-4-3-9-20-11/h3-4,9H,5-8,10H2,1-2H3,(H,14,16)
InChIKeyIKVWFJIWGYNHJX-UHFFFAOYSA-N
XLogP0.45
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide
CID 146075012
4-tert-butyl-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide
CID 146080554
3-fluoro-4-methoxy-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide
CID 146075050
N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 146080605
N-[(1-methylcyclobutyl)methyl]furan-2-carboxamide
CID 103737372
N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanesulfonamide
CID 146075175
N-(1-methylsulfonylpyrrolidin-3-yl)furan-2-carboxamide
CID 110871255
N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 154576685
N'-(2-cyanophenyl)-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]oxamide
CID 146075191
N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64866996
N-[1-[(1-methylsulfonylpiperidin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 47089613
N-[(1-aminocyclohexyl)methyl]furan-2-carboxamide
CID 119404531

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide (CID 146074971) is N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide is COC1(CNC(=O)c2ccco2)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide?
The InChIKey is IKVWFJIWGYNHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-19-13(5-7-15(8-6-13)21(2,17)18)10-14-12(16)11-4-3-9-20-11/h3-4,9H,5-8,10H2,1-2H3,(H,14,16).
What are the key properties of N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide?
N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 146074971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).