N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylfuran-2-carboxamide

C17H19FN2O4S — CID 47090079

IUPACN-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H19FN2O4S/c1-12-8-11-24-16(12)17(21)19-14-6-9-20(10-7-14)25(22,23)15-4-2-13(18)3-5-15/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,19,21)
InChIKeyUKYDQHMZSMFJMZ-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.31
Rot. Bonds4

About N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylfuran-2-carboxamide

N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylfuran-2-carboxamide (PubChem CID 47090079) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylfuran-2-carboxamide
PubChem CID47090079
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC NameN-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H19FN2O4S/c1-12-8-11-24-16(12)17(21)19-14-6-9-20(10-7-14)25(22,23)15-4-2-13(18)3-5-15/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,19,21)
InChIKeyUKYDQHMZSMFJMZ-UHFFFAOYSA-N
XLogP2.31
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 24793463
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218791
N-cyclopropyl-3-methylfuran-2-carboxamide
CID 60675996
N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide
CID 35400948
5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide
CID 34100373
4-fluoro-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 35400886
3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 24617746
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
(3R)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 92633582
N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 110726948
(2R)-N-cyclohexyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 40692056
N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218818

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylfuran-2-carboxamide (CID 47090079) is N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylfuran-2-carboxamide?
The InChIKey is UKYDQHMZSMFJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-12-8-11-24-16(12)17(21)19-14-6-9-20(10-7-14)25(22,23)15-4-2-13(18)3-5-15/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,19,21).
What are the key properties of N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylfuran-2-carboxamide?
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylfuran-2-carboxamide has a molecular weight of 366.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 47090079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).