N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]furan-2-carboxamide

C13H20N2O5S — CID 75537873

IUPACN-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]furan-2-carboxamide
SMILESCOCCS(=O)(=O)N1CCC(NC(=O)c2ccco2)CC1
InChIInChI=1S/C13H20N2O5S/c1-19-9-10-21(17,18)15-6-4-11(5-7-15)14-13(16)12-3-2-8-20-12/h2-3,8,11H,4-7,9-10H2,1H3,(H,14,16)
InChIKeyJZXDYNVQYKNYCR-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.45
Rot. Bonds6

About N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]furan-2-carboxamide

N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 75537873) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID75537873
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC NameN-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]furan-2-carboxamide
SMILESCOCCS(=O)(=O)N1CCC(NC(=O)c2ccco2)CC1
InChIInChI=1S/C13H20N2O5S/c1-19-9-10-21(17,18)15-6-4-11(5-7-15)14-13(16)12-3-2-8-20-12/h2-3,8,11H,4-7,9-10H2,1H3,(H,14,16)
InChIKeyJZXDYNVQYKNYCR-UHFFFAOYSA-N
XLogP0.45
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

N-(1-methylsulfonylpyrrolidin-3-yl)furan-2-carboxamide
CID 110871255
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 108559603
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 24793463
N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-6-oxo-1-phenylpyridine-3-carboxamide
CID 91954882
methyl 2-[4-(furan-2-carbonylamino)cyclohexyl]acetate
CID 115270327
prop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
CID 108559625
1-(1-ethylsulfonylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine
CID 110054174
N-cyclooctylfuran-2-carboxamide
CID 790432
benzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
CID 110821844
ethyl N-[4-(furan-2-carbonylamino)cyclohexyl]carbamate
CID 100613530
N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]furan-2-carboxamide
CID 108550040
4-(furan-2-carbonylamino)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 651346

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]furan-2-carboxamide (CID 75537873) is N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]furan-2-carboxamide is COCCS(=O)(=O)N1CCC(NC(=O)c2ccco2)CC1.
What is the InChIKey of N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is JZXDYNVQYKNYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-19-9-10-21(17,18)15-6-4-11(5-7-15)14-13(16)12-3-2-8-20-12/h2-3,8,11H,4-7,9-10H2,1H3,(H,14,16).
What are the key properties of N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]furan-2-carboxamide?
N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 75537873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).