N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[4-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]-2-methylphenyl]-4-methoxybutanamide

C19H22F4N4O4S2 — CID 166655032

About N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[4-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]-2-methylphenyl]-4-methoxybutanamide

N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[4-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]-2-methylphenyl]-4-methoxybutanamide (PubChem CID 166655032) has the molecular formula C19H22F4N4O4S2 and a molecular weight of 510.54 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[4-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]-2-methylphenyl]-4-methoxybutanamide.

Molecular Properties

• Compound Name: N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[4-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]-2-methylphenyl]-4-methoxybutanamide
• PubChem CID: 166655032
• Molecular Formula: C19H22F4N4O4S2
• Molecular Weight: 510.54 g/mol
• Exact Mass: 510.10
• IUPAC Name: N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[4-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]-2-methylphenyl]-4-methoxybutanamide
• SMILES: COCCCC(=O)N(c1nnc(C(F)F)s1)c1cc(S(=O)(=O)NC2(CF)CC2)c(F)cc1C
• InChI: InChI=1S/C19H22F4N4O4S2/c1-11-8-12(21)14(33(29,30)26-19(10-20)5-6-19)9-13(11)27(15(28)4-3-7-31-2)18-25-24-17(32-18)16(22)23/h8-9,16,26H,3-7,10H2,1-2H3
• InChIKey: YAMYQXBPRFOBSJ-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 101.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.54
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[4-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]-2-methylphenyl]-4-methoxybutanamide?

The IUPAC name of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[4-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]-2-methylphenyl]-4-methoxybutanamide (CID 166655032) is N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[4-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]-2-methylphenyl]-4-methoxybutanamide.

What is the SMILES notation for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[4-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]-2-methylphenyl]-4-methoxybutanamide?

The canonical SMILES for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[4-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]-2-methylphenyl]-4-methoxybutanamide is COCCCC(=O)N(c1nnc(C(F)F)s1)c1cc(S(=O)(=O)NC2(CF)CC2)c(F)cc1C.

What is the InChIKey of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[4-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]-2-methylphenyl]-4-methoxybutanamide?

The InChIKey is YAMYQXBPRFOBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F4N4O4S2/c1-11-8-12(21)14(33(29,30)26-19(10-20)5-6-19)9-13(11)27(15(28)4-3-7-31-2)18-25-24-17(32-18)16(22)23/h8-9,16,26H,3-7,10H2,1-2H3.

What are the key properties of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[4-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]-2-methylphenyl]-4-methoxybutanamide?

N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[4-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]-2-methylphenyl]-4-methoxybutanamide has a molecular weight of 510.54 g/mol, XLogP of 3.79, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[4-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]-2-methylphenyl]-4-methoxybutanamide is sourced from PubChem (CID 166655032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).