N-[5-[(Z)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide

C24H25N3O6S — CID 46394638

IUPACN-[5-[(Z)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(/C=C\c3onc(C)c3NC(=O)C3CC3)cc2)c1
InChIInChI=1S/C24H25N3O6S/c1-15-23(25-24(28)17-7-8-17)22(33-26-15)12-6-16-4-10-19(11-5-16)34(29,30)27-20-14-18(31-2)9-13-21(20)32-3/h4-6,9-14,17,27H,7-8H2,1-3H3,(H,25,28)/b12-6-
InChIKeyYKWGINSWFWJNIW-SDQBBNPISA-N
MW483.55 g/mol
LogP4.32
Rot. Bonds9

About N-[5-[(Z)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide

N-[5-[(Z)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide (PubChem CID 46394638) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[5-[(Z)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[(Z)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
PubChem CID46394638
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC NameN-[5-[(Z)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(/C=C\c3onc(C)c3NC(=O)C3CC3)cc2)c1
InChIInChI=1S/C24H25N3O6S/c1-15-23(25-24(28)17-7-8-17)22(33-26-15)12-6-16-4-10-19(11-5-16)34(29,30)27-20-14-18(31-2)9-13-21(20)32-3/h4-6,9-14,17,27H,7-8H2,1-3H3,(H,25,28)/b12-6-
InChIKeyYKWGINSWFWJNIW-SDQBBNPISA-N
XLogP4.32
TPSA119.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-[3-methyl-5-[(Z)-2-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394643
N-[3-methyl-5-[(Z)-2-[4-(2-phenylpropylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394661
N-[5-[(Z)-2-[4-[2-(4-chlorophenyl)ethylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394598
N-[5-[(Z)-2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394527
N-[5-[(Z)-2-[4-(cycloheptylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
CID 50839094
N-[5-[(Z)-2-[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394110
N-[5-[(Z)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
CID 50839324
N-[5-[2-[4-methoxy-3-[(4-methylcyclohexyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 75192421
N-(2-methoxy-5-methylphenyl)-1-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide
CID 46351488
(3R)-N-(2-methoxy-5-methylphenyl)-1-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 92887115

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[(Z)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide (CID 46394638) is N-[5-[(Z)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[(Z)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[(Z)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide is COc1ccc(OC)c(NS(=O)(=O)c2ccc(/C=C\c3onc(C)c3NC(=O)C3CC3)cc2)c1.
What is the InChIKey of N-[5-[(Z)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide?
The InChIKey is YKWGINSWFWJNIW-SDQBBNPISA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-15-23(25-24(28)17-7-8-17)22(33-26-15)12-6-16-4-10-19(11-5-16)34(29,30)27-20-14-18(31-2)9-13-21(20)32-3/h4-6,9-14,17,27H,7-8H2,1-3H3,(H,25,28)/b12-6-.
What are the key properties of N-[5-[(Z)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide?
N-[5-[(Z)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide has a molecular weight of 483.55 g/mol, XLogP of 4.32, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 46394638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).