N-[5-[(Z)-2-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide

C21H28N4O4S — CID 50839226

IUPACN-[5-[(Z)-2-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
SMILESCCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1
InChIInChI=1S/C21H28N4O4S/c1-4-20(26)22-21-16(3)23-29-19(21)11-8-17-6-9-18(10-7-17)30(27,28)25-14-12-24(5-2)13-15-25/h6-11H,4-5,12-15H2,1-3H3,(H,22,26)/b11-8-
InChIKeySQIDVUICQQDIEO-FLIBITNWSA-N
MW432.55 g/mol
LogP2.83
Rot. Bonds7

About N-[5-[(Z)-2-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide

N-[5-[(Z)-2-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide (PubChem CID 50839226) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[5-[(Z)-2-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[5-[(Z)-2-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
PubChem CID50839226
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC NameN-[5-[(Z)-2-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
SMILESCCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1
InChIInChI=1S/C21H28N4O4S/c1-4-20(26)22-21-16(3)23-29-19(21)11-8-17-6-9-18(10-7-17)30(27,28)25-14-12-24(5-2)13-15-25/h6-11H,4-5,12-15H2,1-3H3,(H,22,26)/b11-8-
InChIKeySQIDVUICQQDIEO-FLIBITNWSA-N
XLogP2.83
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-methyl-5-[(Z)-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,2-oxazol-4-yl]propanamide
CID 50839020
ethyl 1-[4-[(Z)-2-(4-acetamido-3-methyl-1,2-oxazol-5-yl)ethenyl]phenyl]sulfonylpiperidine-4-carboxylate
CID 46394524
N-[5-[(Z)-2-[4-(cycloheptylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
CID 50839094
N-[5-[(Z)-2-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394537
N-[5-[(Z)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
CID 50839324
N-[3-methyl-5-[(E)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethenyl]-1,2-oxazol-4-yl]propanamide
CID 50842648
N-[5-[(Z)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394539
N-[3-methyl-5-[(Z)-2-[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]ethenyl]-1,2-oxazol-4-yl]propanamide
CID 50839275
N-[3-methyl-5-[(Z)-2-[4-(3-phenylpropylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]propanamide
CID 50838994
N-[5-[(Z)-2-[4-(ethylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394651
N-[5-[(Z)-2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394632
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-2-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide?
The IUPAC name of N-[5-[(Z)-2-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide (CID 50839226) is N-[5-[(Z)-2-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide.
What is the SMILES notation for N-[5-[(Z)-2-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide?
The canonical SMILES for N-[5-[(Z)-2-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide is CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1.
What is the InChIKey of N-[5-[(Z)-2-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide?
The InChIKey is SQIDVUICQQDIEO-FLIBITNWSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-4-20(26)22-21-16(3)23-29-19(21)11-8-17-6-9-18(10-7-17)30(27,28)25-14-12-24(5-2)13-15-25/h6-11H,4-5,12-15H2,1-3H3,(H,22,26)/b11-8-.
What are the key properties of N-[5-[(Z)-2-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide?
N-[5-[(Z)-2-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide has a molecular weight of 432.55 g/mol, XLogP of 2.83, 7 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-ethylpiperazin-1-yl)sulfonylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 50839226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).