N-[5-[(Z)-2-[4-[(3-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide

C23H25N3O5S — CID 50839021

IUPACN-[5-[(Z)-2-[4-[(3-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
SMILESCCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)NCc2cccc(OC)c2)cc1
InChIInChI=1S/C23H25N3O5S/c1-4-22(27)25-23-16(2)26-31-21(23)13-10-17-8-11-20(12-9-17)32(28,29)24-15-18-6-5-7-19(14-18)30-3/h5-14,24H,4,15H2,1-3H3,(H,25,27)/b13-10-
InChIKeyCWDXGPSJFMZWBR-RAXLEYEMSA-N
MW455.54 g/mol
LogP3.99
Rot. Bonds9

About N-[5-[(Z)-2-[4-[(3-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide

N-[5-[(Z)-2-[4-[(3-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide (PubChem CID 50839021) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[5-[(Z)-2-[4-[(3-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[5-[(Z)-2-[4-[(3-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
PubChem CID50839021
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC NameN-[5-[(Z)-2-[4-[(3-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
SMILESCCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)NCc2cccc(OC)c2)cc1
InChIInChI=1S/C23H25N3O5S/c1-4-22(27)25-23-16(2)26-31-21(23)13-10-17-8-11-20(12-9-17)32(28,29)24-15-18-6-5-7-19(14-18)30-3/h5-14,24H,4,15H2,1-3H3,(H,25,27)/b13-10-
InChIKeyCWDXGPSJFMZWBR-RAXLEYEMSA-N
XLogP3.99
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.99
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-[4-[(3-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide?
The IUPAC name of N-[5-[(Z)-2-[4-[(3-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide (CID 50839021) is N-[5-[(Z)-2-[4-[(3-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide.
What is the SMILES notation for N-[5-[(Z)-2-[4-[(3-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide?
The canonical SMILES for N-[5-[(Z)-2-[4-[(3-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide is CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)NCc2cccc(OC)c2)cc1.
What is the InChIKey of N-[5-[(Z)-2-[4-[(3-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide?
The InChIKey is CWDXGPSJFMZWBR-RAXLEYEMSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-4-22(27)25-23-16(2)26-31-21(23)13-10-17-8-11-20(12-9-17)32(28,29)24-15-18-6-5-7-19(14-18)30-3/h5-14,24H,4,15H2,1-3H3,(H,25,27)/b13-10-.
What are the key properties of N-[5-[(Z)-2-[4-[(3-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide?
N-[5-[(Z)-2-[4-[(3-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide has a molecular weight of 455.54 g/mol, XLogP of 3.99, 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-[4-[(3-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 50839021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).