N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C21H17F5N2O3S2 — CID 67237992

About N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 67237992) has the molecular formula C21H17F5N2O3S2 and a molecular weight of 504.50 g/mol. Its IUPAC name is N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
• PubChem CID: 67237992
• Molecular Formula: C21H17F5N2O3S2
• Molecular Weight: 504.50 g/mol
• Exact Mass: 504.06
• IUPAC Name: N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
• SMILES: CC(NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1)c1cc(F)c(NS(C)(=O)=O)c(F)c1
• InChI: InChI=1S/C21H17F5N2O3S2/c1-11(13-9-15(22)19(16(23)10-13)28-33(2,30)31)27-20(29)18-7-6-17(32-18)12-4-3-5-14(8-12)21(24,25)26/h3-11,28H,1-2H3,(H,27,29)
• InChIKey: CVVJNEINSLALCN-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 75.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.50
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?

The IUPAC name of N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 67237992) is N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?

The canonical SMILES for N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is CC(NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1)c1cc(F)c(NS(C)(=O)=O)c(F)c1.

What is the InChIKey of N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?

The InChIKey is CVVJNEINSLALCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F5N2O3S2/c1-11(13-9-15(22)19(16(23)10-13)28-33(2,30)31)27-20(29)18-7-6-17(32-18)12-4-3-5-14(8-12)21(24,25)26/h3-11,28H,1-2H3,(H,27,29).

What are the key properties of N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?

N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 504.50 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 67237992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).