(3R)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

C18H22N2O5S — CID 1456683

IUPAC(3R)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccco3)C2)cc1
InChIInChI=1S/C18H22N2O5S/c1-24-15-6-8-17(9-7-15)26(22,23)20-10-2-4-14(13-20)18(21)19-12-16-5-3-11-25-16/h3,5-9,11,14H,2,4,10,12-13H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyIMGRAVIKMIXRTE-CQSZACIVSA-N
MW378.45 g/mol
LogP2.01
Rot. Bonds6

About (3R)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

(3R)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 1456683) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is (3R)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID1456683
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name(3R)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccco3)C2)cc1
InChIInChI=1S/C18H22N2O5S/c1-24-15-6-8-17(9-7-15)26(22,23)20-10-2-4-14(13-20)18(21)19-12-16-5-3-11-25-16/h3,5-9,11,14H,2,4,10,12-13H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyIMGRAVIKMIXRTE-CQSZACIVSA-N
XLogP2.01
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxyphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 2988575
(3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 33345459
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861827
(4-methylphenyl) (3S)-3-(furan-2-ylmethylcarbamoyl)piperidine-1-sulfonate
CID 7728208
(3S)-N-(furan-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1249721
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861829
(3R)-1-(4-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861830
(3R)-N-(2-amino-2-oxoethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 9297102
(3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-3-carboxamide
CID 41008117
N-(furan-2-ylmethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4095522
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 1081627
(3R)-1-(4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-3-carboxamide
CID 9207700

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (CID 1456683) is (3R)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccco3)C2)cc1.
What is the InChIKey of (3R)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is IMGRAVIKMIXRTE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-24-15-6-8-17(9-7-15)26(22,23)20-10-2-4-14(13-20)18(21)19-12-16-5-3-11-25-16/h3,5-9,11,14H,2,4,10,12-13H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of (3R)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
(3R)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 1456683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).