N-[5-[(Z)-2-[4-methoxy-3-[methyl-(4-methylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide

C23H25N3O5S — CID 46394147

IUPACN-[5-[(Z)-2-[4-methoxy-3-[methyl-(4-methylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
SMILESCOc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)N(C)c1ccc(C)cc1
InChIInChI=1S/C23H25N3O5S/c1-15-6-10-19(11-7-15)26(4)32(28,29)22-14-18(8-12-20(22)30-5)9-13-21-23(24-17(3)27)16(2)25-31-21/h6-14H,1-5H3,(H,24,27)/b13-9-
InChIKeyDCPWFDRMUKSAAN-LCYFTJDESA-N
MW455.54 g/mol
LogP4.25
Rot. Bonds7

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

N-[5-[(Z)-2-[4-methoxy-3-[methyl-(4-methylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (PubChem CID 46394147) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[5-[(Z)-2-[4-methoxy-3-[methyl-(4-methylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(Z)-2-[4-methoxy-3-[methyl-(4-methylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
PubChem CID46394147
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC NameN-[5-[(Z)-2-[4-methoxy-3-[methyl-(4-methylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
SMILESCOc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)N(C)c1ccc(C)cc1
InChIInChI=1S/C23H25N3O5S/c1-15-6-10-19(11-7-15)26(4)32(28,29)22-14-18(8-12-20(22)30-5)9-13-21-23(24-17(3)27)16(2)25-31-21/h6-14H,1-5H3,(H,24,27)/b13-9-
InChIKeyDCPWFDRMUKSAAN-LCYFTJDESA-N
XLogP4.25
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-2-[4-methoxy-3-[methyl-(4-methylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The IUPAC name of N-[5-[(Z)-2-[4-methoxy-3-[methyl-(4-methylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (CID 46394147) is N-[5-[(Z)-2-[4-methoxy-3-[methyl-(4-methylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[5-[(Z)-2-[4-methoxy-3-[methyl-(4-methylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The canonical SMILES for N-[5-[(Z)-2-[4-methoxy-3-[methyl-(4-methylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)N(C)c1ccc(C)cc1.
What is the InChIKey of N-[5-[(Z)-2-[4-methoxy-3-[methyl-(4-methylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The InChIKey is DCPWFDRMUKSAAN-LCYFTJDESA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-15-6-10-19(11-7-15)26(4)32(28,29)22-14-18(8-12-20(22)30-5)9-13-21-23(24-17(3)27)16(2)25-31-21/h6-14H,1-5H3,(H,24,27)/b13-9-.
What are the key properties of N-[5-[(Z)-2-[4-methoxy-3-[methyl-(4-methylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
N-[5-[(Z)-2-[4-methoxy-3-[methyl-(4-methylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide has a molecular weight of 455.54 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-2-[4-methoxy-3-[methyl-(4-methylphenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is sourced from PubChem (CID 46394147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).