N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide

C20H20ClN3O4S2 — CID 50842885

About N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide

N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide (PubChem CID 50842885) has the molecular formula C20H20ClN3O4S2 and a molecular weight of 465.98 g/mol. Its IUPAC name is N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide.

Molecular Properties

• Compound Name: N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
• PubChem CID: 50842885
• Molecular Formula: C20H20ClN3O4S2
• Molecular Weight: 465.98 g/mol
• Exact Mass: 465.06
• IUPAC Name: N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
• SMILES: CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)NCc2ccccc2Cl)s1
• InChI: InChI=1S/C20H20ClN3O4S2/c1-3-18(25)23-20-13(2)24-28-17(20)10-8-15-9-11-19(29-15)30(26,27)22-12-14-6-4-5-7-16(14)21/h4-11,22H,3,12H2,1-2H3,(H,23,25)/b10-8+
• InChIKey: XYROHHUPGBRFJJ-CSKARUKUSA-N
• XLogP: 4.70
• TPSA: 101.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.98
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide?

The IUPAC name of N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide (CID 50842885) is N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide.

What is the SMILES notation for N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide?

The canonical SMILES for N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide is CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)NCc2ccccc2Cl)s1.

What is the InChIKey of N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide?

The InChIKey is XYROHHUPGBRFJJ-CSKARUKUSA-N. The full InChI is InChI=1S/C20H20ClN3O4S2/c1-3-18(25)23-20-13(2)24-28-17(20)10-8-15-9-11-19(29-15)30(26,27)22-12-14-6-4-5-7-16(14)21/h4-11,22H,3,12H2,1-2H3,(H,23,25)/b10-8+.

What are the key properties of N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide?

N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide has a molecular weight of 465.98 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(E)-2-[5-[(2-chlorophenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 50842885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).