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

C23H24ClN3O5S — CID 46394083

IUPACN-[5-[(Z)-2-[3-[2-(4-chlorophenyl)ethylsulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
SMILESCOc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN3O5S/c1-15-23(26-16(2)28)21(32-27-15)11-7-18-6-10-20(31-3)22(14-18)33(29,30)25-13-12-17-4-8-19(24)9-5-17/h4-11,14,25H,12-13H2,1-3H3,(H,26,28)/b11-7-
InChIKeyTVAJDWBVAZDMPL-XFFZJAGNSA-N
MW489.98 g/mol
LogP4.29
Rot. Bonds9

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

N-[5-[(Z)-2-[3-[2-(4-chlorophenyl)ethylsulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (PubChem CID 46394083) has the molecular formula C23H24ClN3O5S and a molecular weight of 489.98 g/mol. Its IUPAC name is N-[5-[(Z)-2-[3-[2-(4-chlorophenyl)ethylsulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(Z)-2-[3-[2-(4-chlorophenyl)ethylsulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
PubChem CID46394083
Molecular FormulaC23H24ClN3O5S
Molecular Weight489.98 g/mol
Exact Mass489.11
IUPAC NameN-[5-[(Z)-2-[3-[2-(4-chlorophenyl)ethylsulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
SMILESCOc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN3O5S/c1-15-23(26-16(2)28)21(32-27-15)11-7-18-6-10-20(31-3)22(14-18)33(29,30)25-13-12-17-4-8-19(24)9-5-17/h4-11,14,25H,12-13H2,1-3H3,(H,26,28)/b11-7-
InChIKeyTVAJDWBVAZDMPL-XFFZJAGNSA-N
XLogP4.29
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.98
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(Z)-2-[4-methoxy-3-(propylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394113
N-[5-[(Z)-2-[3-[(4-fluorophenyl)methylsulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394130
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-[2-(4-chlorophenyl)ethylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]cyclopropanecarboxamide
CID 46394598
N-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 102083078
N-[5-[2-[4-methoxy-3-[(4-methylcyclohexyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 75192421
N-[5-[(Z)-2-[3-[(3,4-dimethoxyphenyl)sulfamoyl]-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394004
N-[5-[(Z)-2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394527
N-[5-[(Z)-2-[3-[(2,5-diethoxyphenyl)sulfamoyl]-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394062
N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 7436894
5-chloro-2-methoxy-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 16890316
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 17435586

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-2-[3-[2-(4-chlorophenyl)ethylsulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The IUPAC name of N-[5-[(Z)-2-[3-[2-(4-chlorophenyl)ethylsulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (CID 46394083) is N-[5-[(Z)-2-[3-[2-(4-chlorophenyl)ethylsulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[5-[(Z)-2-[3-[2-(4-chlorophenyl)ethylsulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The canonical SMILES for N-[5-[(Z)-2-[3-[2-(4-chlorophenyl)ethylsulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[5-[(Z)-2-[3-[2-(4-chlorophenyl)ethylsulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The InChIKey is TVAJDWBVAZDMPL-XFFZJAGNSA-N. The full InChI is InChI=1S/C23H24ClN3O5S/c1-15-23(26-16(2)28)21(32-27-15)11-7-18-6-10-20(31-3)22(14-18)33(29,30)25-13-12-17-4-8-19(24)9-5-17/h4-11,14,25H,12-13H2,1-3H3,(H,26,28)/b11-7-.
What are the key properties of N-[5-[(Z)-2-[3-[2-(4-chlorophenyl)ethylsulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
N-[5-[(Z)-2-[3-[2-(4-chlorophenyl)ethylsulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide has a molecular weight of 489.98 g/mol, XLogP of 4.29, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-2-[3-[2-(4-chlorophenyl)ethylsulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is sourced from PubChem (CID 46394083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).