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

C24H24ClN3O4S — CID 46394598

IUPACN-[5-[(Z)-2-[4-[2-(4-chlorophenyl)ethylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
SMILESCc1noc(/C=C\c2ccc(S(=O)(=O)NCCc3ccc(Cl)cc3)cc2)c1NC(=O)C1CC1
InChIInChI=1S/C24H24ClN3O4S/c1-16-23(27-24(29)19-7-8-19)22(32-28-16)13-6-17-4-11-21(12-5-17)33(30,31)26-15-14-18-2-9-20(25)10-3-18/h2-6,9-13,19,26H,7-8,14-15H2,1H3,(H,27,29)/b13-6-
InChIKeyGYEGXXYCBXJHRM-MLPAPPSSSA-N
MW485.99 g/mol
LogP4.68
Rot. Bonds9

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

N-[5-[(Z)-2-[4-[2-(4-chlorophenyl)ethylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide (PubChem CID 46394598) has the molecular formula C24H24ClN3O4S and a molecular weight of 485.99 g/mol. Its IUPAC name is N-[5-[(Z)-2-[4-[2-(4-chlorophenyl)ethylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[(Z)-2-[4-[2-(4-chlorophenyl)ethylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
PubChem CID46394598
Molecular FormulaC24H24ClN3O4S
Molecular Weight485.99 g/mol
Exact Mass485.12
IUPAC NameN-[5-[(Z)-2-[4-[2-(4-chlorophenyl)ethylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
SMILESCc1noc(/C=C\c2ccc(S(=O)(=O)NCCc3ccc(Cl)cc3)cc2)c1NC(=O)C1CC1
InChIInChI=1S/C24H24ClN3O4S/c1-16-23(27-24(29)19-7-8-19)22(32-28-16)13-6-17-4-11-21(12-5-17)33(30,31)26-15-14-18-2-9-20(25)10-3-18/h2-6,9-13,19,26H,7-8,14-15H2,1H3,(H,27,29)/b13-6-
InChIKeyGYEGXXYCBXJHRM-MLPAPPSSSA-N
XLogP4.68
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.99
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-[3-methyl-5-[(Z)-2-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394643
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-(2-phenylpropylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394661
N-[5-[(Z)-2-[3-[2-(4-chlorophenyl)ethylsulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394083
N-[3-methyl-5-[(Z)-2-[4-(3-phenylpropylsulfamoyl)phenyl]ethenyl]-1,2-oxazol-4-yl]propanamide
CID 50838994
N-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 102083078
N-[5-[(Z)-2-[4-(benzylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394574
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-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 50842920
N-[3-methyl-5-[(Z)-2-[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]ethenyl]-1,2-oxazol-4-yl]propanamide
CID 50839275

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-2-[4-[2-(4-chlorophenyl)ethylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[(Z)-2-[4-[2-(4-chlorophenyl)ethylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide (CID 46394598) is N-[5-[(Z)-2-[4-[2-(4-chlorophenyl)ethylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[(Z)-2-[4-[2-(4-chlorophenyl)ethylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[(Z)-2-[4-[2-(4-chlorophenyl)ethylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide is Cc1noc(/C=C\c2ccc(S(=O)(=O)NCCc3ccc(Cl)cc3)cc2)c1NC(=O)C1CC1.
What is the InChIKey of N-[5-[(Z)-2-[4-[2-(4-chlorophenyl)ethylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide?
The InChIKey is GYEGXXYCBXJHRM-MLPAPPSSSA-N. The full InChI is InChI=1S/C24H24ClN3O4S/c1-16-23(27-24(29)19-7-8-19)22(32-28-16)13-6-17-4-11-21(12-5-17)33(30,31)26-15-14-18-2-9-20(25)10-3-18/h2-6,9-13,19,26H,7-8,14-15H2,1H3,(H,27,29)/b13-6-.
What are the key properties of N-[5-[(Z)-2-[4-[2-(4-chlorophenyl)ethylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide?
N-[5-[(Z)-2-[4-[2-(4-chlorophenyl)ethylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide has a molecular weight of 485.99 g/mol, XLogP of 4.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-2-[4-[2-(4-chlorophenyl)ethylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 46394598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).