N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C18H24N2O4S2 — CID 9141771

IUPACN-[(2R)-4-(furan-2-yl)butan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESC[C@H](CCc1ccco1)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H24N2O4S2/c1-14(6-7-16-4-2-12-24-16)19-18(21)15-8-10-20(11-9-15)26(22,23)17-5-3-13-25-17/h2-5,12-15H,6-11H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyCXEBQJLXLZIRLH-CQSZACIVSA-N
MW396.53 g/mol
LogP2.88
Rot. Bonds7

About N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 9141771) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-(furan-2-yl)butan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID9141771
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC NameN-[(2R)-4-(furan-2-yl)butan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESC[C@H](CCc1ccco1)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H24N2O4S2/c1-14(6-7-16-4-2-12-24-16)19-18(21)15-8-10-20(11-9-15)26(22,23)17-5-3-13-25-17/h2-5,12-15H,6-11H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyCXEBQJLXLZIRLH-CQSZACIVSA-N
XLogP2.88
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 ≤ 52.88
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-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 95088759
N-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 17462186
N-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27511485
N-[4-(furan-2-yl)butan-2-yl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 55569665
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 8750729
N'-(furan-2-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide
CID 9477271
N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51228957
N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-sulfamoylpiperidine-4-carboxamide
CID 32598215
N-[1-(4-chlorophenyl)-2-methylpropyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 46693048
N-[4-(furan-2-yl)butan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 75414137
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26468180

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 9141771) is N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is C[C@H](CCc1ccco1)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is CXEBQJLXLZIRLH-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-14(6-7-16-4-2-12-24-16)19-18(21)15-8-10-20(11-9-15)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 N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 396.53 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 9141771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).