(2S)-N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide

C18H23N3O3S2 — CID 95088658

IUPAC(2S)-N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
SMILESC[C@H](C(=O)NCc1cccnc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H23N3O3S2/c1-14(18(22)20-13-15-4-2-8-19-12-15)16-6-9-21(10-7-16)26(23,24)17-5-3-11-25-17/h2-5,8,11-12,14,16H,6-7,9-10,13H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyGHLVBTRNWMDHEK-AWEZNQCLSA-N
MW393.53 g/mol
LogP2.50
Rot. Bonds6

About (2S)-N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide

(2S)-N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide (PubChem CID 95088658) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is (2S)-N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
PubChem CID95088658
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC Name(2S)-N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
SMILESC[C@H](C(=O)NCc1cccnc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H23N3O3S2/c1-14(18(22)20-13-15-4-2-8-19-12-15)16-6-9-21(10-7-16)26(23,24)17-5-3-11-25-17/h2-5,8,11-12,14,16H,6-7,9-10,13H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyGHLVBTRNWMDHEK-AWEZNQCLSA-N
XLogP2.50
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 53118880
(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
(2R)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 95088721
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
3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 20965295
N-(3-morpholin-4-ylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 53118897
2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 91918211
2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide
CID 110823252
(2S)-1-morpholin-4-yl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propan-1-one
CID 95088696
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 8750729

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide?
The IUPAC name of (2S)-N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide (CID 95088658) is (2S)-N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2S)-N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide?
The canonical SMILES for (2S)-N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide is C[C@H](C(=O)NCc1cccnc1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of (2S)-N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide?
The InChIKey is GHLVBTRNWMDHEK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-14(18(22)20-13-15-4-2-8-19-12-15)16-6-9-21(10-7-16)26(23,24)17-5-3-11-25-17/h2-5,8,11-12,14,16H,6-7,9-10,13H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide?
(2S)-N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide has a molecular weight of 393.53 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide is sourced from PubChem (CID 95088658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).