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

C23H31N3O5S — CID 46394086

IUPACN-[5-[(Z)-2-[3-(cyclooctylsulfamoyl)-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
SMILESCOc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C23H31N3O5S/c1-16-23(24-17(2)27)21(31-25-16)14-12-18-11-13-20(30-3)22(15-18)32(28,29)26-19-9-7-5-4-6-8-10-19/h11-15,19,26H,4-10H2,1-3H3,(H,24,27)/b14-12-
InChIKeyPMVXEZOYUUYSBS-OWBHPGMISA-N
MW461.58 g/mol
LogP4.51
Rot. Bonds7

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

N-[5-[(Z)-2-[3-(cyclooctylsulfamoyl)-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (PubChem CID 46394086) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is N-[5-[(Z)-2-[3-(cyclooctylsulfamoyl)-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(Z)-2-[3-(cyclooctylsulfamoyl)-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
PubChem CID46394086
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC NameN-[5-[(Z)-2-[3-(cyclooctylsulfamoyl)-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
SMILESCOc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C23H31N3O5S/c1-16-23(24-17(2)27)21(31-25-16)14-12-18-11-13-20(30-3)22(15-18)32(28,29)26-19-9-7-5-4-6-8-10-19/h11-15,19,26H,4-10H2,1-3H3,(H,24,27)/b14-12-
InChIKeyPMVXEZOYUUYSBS-OWBHPGMISA-N
XLogP4.51
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-2-[3-(cyclooctylsulfamoyl)-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The IUPAC name of N-[5-[(Z)-2-[3-(cyclooctylsulfamoyl)-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (CID 46394086) is N-[5-[(Z)-2-[3-(cyclooctylsulfamoyl)-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[5-[(Z)-2-[3-(cyclooctylsulfamoyl)-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The canonical SMILES for N-[5-[(Z)-2-[3-(cyclooctylsulfamoyl)-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)NC1CCCCCCC1.
What is the InChIKey of N-[5-[(Z)-2-[3-(cyclooctylsulfamoyl)-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The InChIKey is PMVXEZOYUUYSBS-OWBHPGMISA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-16-23(24-17(2)27)21(31-25-16)14-12-18-11-13-20(30-3)22(15-18)32(28,29)26-19-9-7-5-4-6-8-10-19/h11-15,19,26H,4-10H2,1-3H3,(H,24,27)/b14-12-.
What are the key properties of N-[5-[(Z)-2-[3-(cyclooctylsulfamoyl)-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
N-[5-[(Z)-2-[3-(cyclooctylsulfamoyl)-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide has a molecular weight of 461.58 g/mol, XLogP of 4.51, 7 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-(cyclooctylsulfamoyl)-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is sourced from PubChem (CID 46394086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).