1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

C22H24N4O5S2 — CID 20858453

IUPAC1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc(/C=C\c2onc(C)c2S(=O)(=O)N2CCC(C(=O)Nc3nccs3)CC2)cc1
InChIInChI=1S/C22H24N4O5S2/c1-15-20(19(31-25-15)8-5-16-3-6-18(30-2)7-4-16)33(28,29)26-12-9-17(10-13-26)21(27)24-22-23-11-14-32-22/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,23,24,27)/b8-5-
InChIKeyVBNGBZSNPSHNBR-YVMONPNESA-N
MW488.59 g/mol
LogP3.66
Rot. Bonds7

About 1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 20858453) has the molecular formula C22H24N4O5S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID20858453
Molecular FormulaC22H24N4O5S2
Molecular Weight488.59 g/mol
Exact Mass488.12
IUPAC Name1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc(/C=C\c2onc(C)c2S(=O)(=O)N2CCC(C(=O)Nc3nccs3)CC2)cc1
InChIInChI=1S/C22H24N4O5S2/c1-15-20(19(31-25-15)8-5-16-3-6-18(30-2)7-4-16)33(28,29)26-12-9-17(10-13-26)21(27)24-22-23-11-14-32-22/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,23,24,27)/b8-5-
InChIKeyVBNGBZSNPSHNBR-YVMONPNESA-N
XLogP3.66
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 20858453) is 1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is COc1ccc(/C=C\c2onc(C)c2S(=O)(=O)N2CCC(C(=O)Nc3nccs3)CC2)cc1.
What is the InChIKey of 1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is VBNGBZSNPSHNBR-YVMONPNESA-N. The full InChI is InChI=1S/C22H24N4O5S2/c1-15-20(19(31-25-15)8-5-16-3-6-18(30-2)7-4-16)33(28,29)26-12-9-17(10-13-26)21(27)24-22-23-11-14-32-22/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,23,24,27)/b8-5-.
What are the key properties of 1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20858453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).