(3S)-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-propylpiperidine-3-carboxamide

C19H25N3O4S2 — CID 92667430

IUPAC(3S)-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2cccs2)C1
InChIInChI=1S/C19H25N3O4S2/c1-3-10-20-19(23)15-6-4-11-22(13-15)28(24,25)18-14(2)21-26-17(18)9-8-16-7-5-12-27-16/h5,7-9,12,15H,3-4,6,10-11,13H2,1-2H3,(H,20,23)/b9-8+/t15-/m0/s1
InChIKeyJHXWQGGXJIFPPW-HVHJFMEUSA-N
MW423.56 g/mol
LogP3.14
Rot. Bonds7

About (3S)-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-propylpiperidine-3-carboxamide

(3S)-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-propylpiperidine-3-carboxamide (PubChem CID 92667430) has the molecular formula C19H25N3O4S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is (3S)-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-propylpiperidine-3-carboxamide
PubChem CID92667430
Molecular FormulaC19H25N3O4S2
Molecular Weight423.56 g/mol
Exact Mass423.13
IUPAC Name(3S)-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2cccs2)C1
InChIInChI=1S/C19H25N3O4S2/c1-3-10-20-19(23)15-6-4-11-22(13-15)28(24,25)18-14(2)21-26-17(18)9-8-16-7-5-12-27-16/h5,7-9,12,15H,3-4,6,10-11,13H2,1-2H3,(H,20,23)/b9-8+/t15-/m0/s1
InChIKeyJHXWQGGXJIFPPW-HVHJFMEUSA-N
XLogP3.14
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-methyl-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 92708621
N-cycloheptyl-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 20950566
N-(2-methylphenyl)-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 20879653
[(3R)-3-methylpiperidin-1-yl]-[(3R)-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidin-3-yl]methanone
CID 92667425
1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 5309162
[1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 20969722
(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331
(3S)-N-benzyl-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 92725019
1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-pyridin-4-ylpiperidine-4-carboxamide
CID 20858492
(3R)-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 92724998
(3R)-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 92887131
(3R)-N-benzyl-1-[[3-methyl-5-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 92887391

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-propylpiperidine-3-carboxamide (CID 92667430) is (3S)-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-propylpiperidine-3-carboxamide is CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2/C=C/c2cccs2)C1.
What is the InChIKey of (3S)-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-propylpiperidine-3-carboxamide?
The InChIKey is JHXWQGGXJIFPPW-HVHJFMEUSA-N. The full InChI is InChI=1S/C19H25N3O4S2/c1-3-10-20-19(23)15-6-4-11-22(13-15)28(24,25)18-14(2)21-26-17(18)9-8-16-7-5-12-27-16/h5,7-9,12,15H,3-4,6,10-11,13H2,1-2H3,(H,20,23)/b9-8+/t15-/m0/s1.
What are the key properties of (3S)-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-propylpiperidine-3-carboxamide?
(3S)-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-propylpiperidine-3-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 92667430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).