N-[1-(3-phenylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide

C17H20N2O4S — CID 51079183

IUPACN-[1-(3-phenylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)c2occc2-c2ccccc2)C1
InChIInChI=1S/C17H20N2O4S/c1-24(21,22)18-14-8-5-10-19(12-14)17(20)16-15(9-11-23-16)13-6-3-2-4-7-13/h2-4,6-7,9,11,14,18H,5,8,10,12H2,1H3
InChIKeyWZLQMPHCYZUIGJ-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.10
Rot. Bonds4

About N-[1-(3-phenylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide

N-[1-(3-phenylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide (PubChem CID 51079183) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[1-(3-phenylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-phenylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
PubChem CID51079183
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[1-(3-phenylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)c2occc2-c2ccccc2)C1
InChIInChI=1S/C17H20N2O4S/c1-24(21,22)18-14-8-5-10-19(12-14)17(20)16-15(9-11-23-16)13-6-3-2-4-7-13/h2-4,6-7,9,11,14,18H,5,8,10,12H2,1H3
InChIKeyWZLQMPHCYZUIGJ-UHFFFAOYSA-N
XLogP2.10
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-[(1S,2S)-2-(2-phenylphenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 176849179
3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid
CID 126773299
N-[(3S)-1-[(1S,2S)-2-fluoro-2-(2-phenylphenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 176848858
N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 47029348
(3-phenylfuran-2-yl)-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 97240858
[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone
CID 95978611
[3-(benzenesulfonylmethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491565
N-[1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]methanesulfonamide
CID 51079185
N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184451
N-[1-(1H-indazole-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079181
N-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]benzenesulfonamide
CID 95296015
N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide
CID 60945770

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(3-phenylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide (CID 51079183) is N-[1-(3-phenylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(3-phenylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(3-phenylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(C(=O)c2occc2-c2ccccc2)C1.
What is the InChIKey of N-[1-(3-phenylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is WZLQMPHCYZUIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-24(21,22)18-14-8-5-10-19(12-14)17(20)16-15(9-11-23-16)13-6-3-2-4-7-13/h2-4,6-7,9,11,14,18H,5,8,10,12H2,1H3.
What are the key properties of N-[1-(3-phenylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide?
N-[1-(3-phenylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 348.42 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 51079183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).