(2R)-N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide

C18H24N2O4S2 — CID 95088759

IUPAC(2R)-N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
SMILESC[C@@H](C(=O)NCCc1ccco1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H24N2O4S2/c1-14(18(21)19-9-6-16-4-2-12-24-16)15-7-10-20(11-8-15)26(22,23)17-5-3-13-25-17/h2-5,12-15H,6-11H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyRVVKEQCMERJZOQ-CQSZACIVSA-N
MW396.53 g/mol
LogP2.74
Rot. Bonds7

About (2R)-N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide

(2R)-N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide (PubChem CID 95088759) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is (2R)-N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
PubChem CID95088759
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC Name(2R)-N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
SMILESC[C@@H](C(=O)NCCc1ccco1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H24N2O4S2/c1-14(18(21)19-9-6-16-4-2-12-24-16)15-7-10-20(11-8-15)26(22,23)17-5-3-13-25-17/h2-5,12-15H,6-11H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyRVVKEQCMERJZOQ-CQSZACIVSA-N
XLogP2.74
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 53118935
(2R)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 95088721
N-(3-morpholin-4-ylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 53118897
N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9141771
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(furan-2-yl)ethyl]propanamide
CID 53118789
(2R)-N-[(4-chlorophenyl)methyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 95088661
N-[[4-(dimethylamino)phenyl]methyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 53118933
N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 53118880
(2S)-N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 95088658
(2S)-1-morpholin-4-yl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propan-1-one
CID 95088696
N-[4-(furan-2-yl)butan-2-yl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 55569665
2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide
CID 110823252

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide?
The IUPAC name of (2R)-N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide (CID 95088759) is (2R)-N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2R)-N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide?
The canonical SMILES for (2R)-N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide is C[C@@H](C(=O)NCCc1ccco1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of (2R)-N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide?
The InChIKey is RVVKEQCMERJZOQ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-14(18(21)19-9-6-16-4-2-12-24-16)15-7-10-20(11-8-15)26(22,23)17-5-3-13-25-17/h2-5,12-15H,6-11H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of (2R)-N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide?
(2R)-N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide has a molecular weight of 396.53 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide is sourced from PubChem (CID 95088759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).