2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide

C15H24N2O3S2 — CID 110823252

IUPAC2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide
SMILESCCC(CC)C(=O)NC1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H24N2O3S2/c1-3-12(4-2)15(18)16-13-7-9-17(10-8-13)22(19,20)14-6-5-11-21-14/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,16,18)
InChIKeyPYKKXZDLGOFMFZ-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.45
Rot. Bonds6

About 2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide

2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide (PubChem CID 110823252) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide
PubChem CID110823252
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC Name2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide
SMILESCCC(CC)C(=O)NC1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H24N2O3S2/c1-3-12(4-2)15(18)16-13-7-9-17(10-8-13)22(19,20)14-6-5-11-21-14/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,16,18)
InChIKeyPYKKXZDLGOFMFZ-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-diphenyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108559458
2-phenyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108560111
1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea
CID 110823258
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
2-(4-chlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 108560976
ethyl 4-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]piperidine-1-carboxylate
CID 3244590
4-fluoro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 35400940
ethyl [4-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbamoyl]phenyl] carbonate
CID 108559085
2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 108561586
3-hydroxy-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 108562969
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 8750729
tert-butyl N-[3-oxo-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]propyl]carbamate
CID 108558943

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide?
The IUPAC name of 2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide (CID 110823252) is 2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide.
What is the SMILES notation for 2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide?
The canonical SMILES for 2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide is CCC(CC)C(=O)NC1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide?
The InChIKey is PYKKXZDLGOFMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-3-12(4-2)15(18)16-13-7-9-17(10-8-13)22(19,20)14-6-5-11-21-14/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,16,18).
What are the key properties of 2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide?
2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide has a molecular weight of 344.50 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide is sourced from PubChem (CID 110823252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).