N-[5-[(Z)-2-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide

C26H30N4O4S — CID 46394537

IUPACN-[5-[(Z)-2-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
SMILESCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C26H30N4O4S/c1-18-5-11-24(19(2)17-18)29-13-15-30(16-14-29)35(32,33)23-9-6-22(7-10-23)8-12-25-26(27-21(4)31)20(3)28-34-25/h5-12,17H,13-16H2,1-4H3,(H,27,31)/b12-8-
InChIKeyPPIFVABYLZQQPS-WQLSENKSSA-N
MW494.62 g/mol
LogP4.24
Rot. Bonds6

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

N-[5-[(Z)-2-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (PubChem CID 46394537) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is N-[5-[(Z)-2-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(Z)-2-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
PubChem CID46394537
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC NameN-[5-[(Z)-2-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
SMILESCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C26H30N4O4S/c1-18-5-11-24(19(2)17-18)29-13-15-30(16-14-29)35(32,33)23-9-6-22(7-10-23)8-12-25-26(27-21(4)31)20(3)28-34-25/h5-12,17H,13-16H2,1-4H3,(H,27,31)/b12-8-
InChIKeyPPIFVABYLZQQPS-WQLSENKSSA-N
XLogP4.24
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(Z)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394539
ethyl 1-[4-[(Z)-2-(4-acetamido-3-methyl-1,2-oxazol-5-yl)ethenyl]phenyl]sulfonylpiperidine-4-carboxylate
CID 46394524
N-[3-methyl-5-[(Z)-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazol-4-yl]propanamide
CID 50839020
N-[5-[(Z)-2-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
CID 50839226
N-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 102083078
1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1293254
N-[5-[(Z)-2-[4-(benzylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394574
N-[5-[(Z)-2-[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394110
(E)-N-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2600144
N-[5-[(Z)-2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394632
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine
CID 113075406
N-[5-[(Z)-2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394527

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-2-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The IUPAC name of N-[5-[(Z)-2-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (CID 46394537) is N-[5-[(Z)-2-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[5-[(Z)-2-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The canonical SMILES for N-[5-[(Z)-2-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is CC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1.
What is the InChIKey of N-[5-[(Z)-2-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The InChIKey is PPIFVABYLZQQPS-WQLSENKSSA-N. The full InChI is InChI=1S/C26H30N4O4S/c1-18-5-11-24(19(2)17-18)29-13-15-30(16-14-29)35(32,33)23-9-6-22(7-10-23)8-12-25-26(27-21(4)31)20(3)28-34-25/h5-12,17H,13-16H2,1-4H3,(H,27,31)/b12-8-.
What are the key properties of N-[5-[(Z)-2-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
N-[5-[(Z)-2-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide has a molecular weight of 494.62 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-2-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is sourced from PubChem (CID 46394537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).