N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-3-[(3-deuterio-4-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide

C19H19N3O5S2 — CID 59565767

About N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-3-[(3-deuterio-4-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide

N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-3-[(3-deuterio-4-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide (PubChem CID 59565767) has the molecular formula C19H19N3O5S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-3-[(3-deuterio-4-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-3-[(3-deuterio-4-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
• PubChem CID: 59565767
• Molecular Formula: C19H19N3O5S2
• Molecular Weight: 440.55 g/mol
• Exact Mass: 440.12
• IUPAC Name: N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-3-[(3-deuterio-4-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
• SMILES: [2H]c1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2c(C(C)=O)cc(C([2H])([2H])[2H])cc2C([2H])([2H])[2H])c1C
• InChI: InChI=1S/C19H19N3O5S2/c1-10-7-11(2)16(14(8-10)13(4)23)21-18(24)17-15(5-6-28-17)29(25,26)22-19-12(3)9-20-27-19/h5-9,22H,1-4H3,(H,21,24)/i1D3,2D3,9D
• InChIKey: BSFDBGWFYHGXQJ-SCENNGIESA-N
• XLogP: 3.92
• TPSA: 118.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.55
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-3-[(3-deuterio-4-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide?

The IUPAC name of N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-3-[(3-deuterio-4-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide (CID 59565767) is N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-3-[(3-deuterio-4-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-3-[(3-deuterio-4-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide?

The canonical SMILES for N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-3-[(3-deuterio-4-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide is [2H]c1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2c(C(C)=O)cc(C([2H])([2H])[2H])cc2C([2H])([2H])[2H])c1C.

What is the InChIKey of N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-3-[(3-deuterio-4-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide?

The InChIKey is BSFDBGWFYHGXQJ-SCENNGIESA-N. The full InChI is InChI=1S/C19H19N3O5S2/c1-10-7-11(2)16(14(8-10)13(4)23)21-18(24)17-15(5-6-28-17)29(25,26)22-19-12(3)9-20-27-19/h5-9,22H,1-4H3,(H,21,24)/i1D3,2D3,9D.

What are the key properties of N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-3-[(3-deuterio-4-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide?

N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-3-[(3-deuterio-4-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-3-[(3-deuterio-4-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 59565767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).