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

C21H22N4O4S2 — CID 20858492

IUPAC1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-pyridin-4-ylpiperidine-4-carboxamide
SMILESCc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C21H22N4O4S2/c1-15-20(19(29-24-15)5-4-18-3-2-14-30-18)31(27,28)25-12-8-16(9-13-25)21(26)23-17-6-10-22-11-7-17/h2-7,10-11,14,16H,8-9,12-13H2,1H3,(H,22,23,26)/b5-4+
InChIKeySIPDYJLUTPQBBA-SNAWJCMRSA-N
MW458.57 g/mol
LogP3.65
Rot. Bonds6

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

1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 20858492) has the molecular formula C21H22N4O4S2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID20858492
Molecular FormulaC21H22N4O4S2
Molecular Weight458.57 g/mol
Exact Mass458.11
IUPAC Name1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-pyridin-4-ylpiperidine-4-carboxamide
SMILESCc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C21H22N4O4S2/c1-15-20(19(29-24-15)5-4-18-3-2-14-30-18)31(27,28)25-12-8-16(9-13-25)21(26)23-17-6-10-22-11-7-17/h2-7,10-11,14,16H,8-9,12-13H2,1H3,(H,22,23,26)/b5-4+
InChIKeySIPDYJLUTPQBBA-SNAWJCMRSA-N
XLogP3.65
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetylphenyl)-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide
CID 20858514
[1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 20969722
N-(5-chloro-2-methylphenyl)-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide
CID 20858496
1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 20969669
1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 20858572
(3S)-N-methyl-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 92708621
N-(2-methylphenyl)-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 20879653
N-(4-acetylphenyl)-1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide
CID 20858526
N-cycloheptyl-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 20950566
methyl 4-[[1-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carbonyl]amino]benzoate
CID 46351505
1-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-4-carboxamide
CID 46351537
1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 46351664

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-pyridin-4-ylpiperidine-4-carboxamide (CID 20858492) is 1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-pyridin-4-ylpiperidine-4-carboxamide is Cc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC(C(=O)Nc2ccncc2)CC1.
What is the InChIKey of 1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is SIPDYJLUTPQBBA-SNAWJCMRSA-N. The full InChI is InChI=1S/C21H22N4O4S2/c1-15-20(19(29-24-15)5-4-18-3-2-14-30-18)31(27,28)25-12-8-16(9-13-25)21(26)23-17-6-10-22-11-7-17/h2-7,10-11,14,16H,8-9,12-13H2,1H3,(H,22,23,26)/b5-4+.
What are the key properties of 1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-pyridin-4-ylpiperidine-4-carboxamide?
1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 20858492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).