N-[5-[(Z)-2-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide

C24H27N5O5S — CID 46394127

IUPACN-[5-[(Z)-2-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
SMILESCOc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H27N5O5S/c1-17-24(26-18(2)30)21(34-27-17)10-8-19-7-9-20(33-3)22(16-19)35(31,32)29-14-12-28(13-15-29)23-6-4-5-11-25-23/h4-11,16H,12-15H2,1-3H3,(H,26,30)/b10-8-
InChIKeyLXKCEOWSQPUZMA-NTMALXAHSA-N
MW497.58 g/mol
LogP3.03
Rot. Bonds7

About N-[5-[(Z)-2-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide

N-[5-[(Z)-2-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (PubChem CID 46394127) has the molecular formula C24H27N5O5S and a molecular weight of 497.58 g/mol. Its IUPAC name is N-[5-[(Z)-2-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(Z)-2-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
PubChem CID46394127
Molecular FormulaC24H27N5O5S
Molecular Weight497.58 g/mol
Exact Mass497.17
IUPAC NameN-[5-[(Z)-2-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
SMILESCOc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H27N5O5S/c1-17-24(26-18(2)30)21(34-27-17)10-8-19-7-9-20(33-3)22(16-19)35(31,32)29-14-12-28(13-15-29)23-6-4-5-11-25-23/h4-11,16H,12-15H2,1-3H3,(H,26,30)/b10-8-
InChIKeyLXKCEOWSQPUZMA-NTMALXAHSA-N
XLogP3.03
TPSA117.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-2-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The IUPAC name of N-[5-[(Z)-2-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (CID 46394127) is N-[5-[(Z)-2-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[5-[(Z)-2-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The canonical SMILES for N-[5-[(Z)-2-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[5-[(Z)-2-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The InChIKey is LXKCEOWSQPUZMA-NTMALXAHSA-N. The full InChI is InChI=1S/C24H27N5O5S/c1-17-24(26-18(2)30)21(34-27-17)10-8-19-7-9-20(33-3)22(16-19)35(31,32)29-14-12-28(13-15-29)23-6-4-5-11-25-23/h4-11,16H,12-15H2,1-3H3,(H,26,30)/b10-8-.
What are the key properties of N-[5-[(Z)-2-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
N-[5-[(Z)-2-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide has a molecular weight of 497.58 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-2-[4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is sourced from PubChem (CID 46394127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).