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

C24H25ClN4O5S — CID 20858454

IUPACN-(5-chloro-2-pyridinyl)-1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide
SMILESCOc1ccc(/C=C\c2onc(C)c2S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1
InChIInChI=1S/C24H25ClN4O5S/c1-16-23(21(34-28-16)9-5-17-3-7-20(33-2)8-4-17)35(31,32)29-13-11-18(12-14-29)24(30)27-22-10-6-19(25)15-26-22/h3-10,15,18H,11-14H2,1-2H3,(H,26,27,30)/b9-5-
InChIKeyXMIARCQGVAZXHU-UITAMQMPSA-N
MW517.01 g/mol
LogP4.25
Rot. Bonds7

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

N-(5-chloro-2-pyridinyl)-1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide (PubChem CID 20858454) has the molecular formula C24H25ClN4O5S and a molecular weight of 517.01 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide
PubChem CID20858454
Molecular FormulaC24H25ClN4O5S
Molecular Weight517.01 g/mol
Exact Mass516.12
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide
SMILESCOc1ccc(/C=C\c2onc(C)c2S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1
InChIInChI=1S/C24H25ClN4O5S/c1-16-23(21(34-28-16)9-5-17-3-7-20(33-2)8-4-17)35(31,32)29-13-11-18(12-14-29)24(30)27-22-10-6-19(25)15-26-22/h3-10,15,18H,11-14H2,1-2H3,(H,26,27,30)/b9-5-
InChIKeyXMIARCQGVAZXHU-UITAMQMPSA-N
XLogP4.25
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.01
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide (CID 20858454) is N-(5-chloro-2-pyridinyl)-1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide is COc1ccc(/C=C\c2onc(C)c2S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide?
The InChIKey is XMIARCQGVAZXHU-UITAMQMPSA-N. The full InChI is InChI=1S/C24H25ClN4O5S/c1-16-23(21(34-28-16)9-5-17-3-7-20(33-2)8-4-17)35(31,32)29-13-11-18(12-14-29)24(30)27-22-10-6-19(25)15-26-22/h3-10,15,18H,11-14H2,1-2H3,(H,26,27,30)/b9-5-.
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide has a molecular weight of 517.01 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[[5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 20858454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).