N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide

C17H17F3N2O3S2 — CID 51946543

About N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide

N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide (PubChem CID 51946543) has the molecular formula C17H17F3N2O3S2 and a molecular weight of 418.46 g/mol. Its IUPAC name is N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide
• PubChem CID: 51946543
• Molecular Formula: C17H17F3N2O3S2
• Molecular Weight: 418.46 g/mol
• Exact Mass: 418.06
• IUPAC Name: N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide
• SMILES: O=C1CCCN1C[C@H](NS(=O)(=O)c1cccs1)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C17H17F3N2O3S2/c18-17(19,20)13-5-1-4-12(10-13)14(11-22-8-2-6-15(22)23)21-27(24,25)16-7-3-9-26-16/h1,3-5,7,9-10,14,21H,2,6,8,11H2/t14-/m0/s1
• InChIKey: BNPKCYDUOCAKKS-AWEZNQCLSA-N
• XLogP: 3.41
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.46
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide?

The IUPAC name of N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide (CID 51946543) is N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide.

What is the SMILES notation for N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide?

The canonical SMILES for N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide is O=C1CCCN1C[C@H](NS(=O)(=O)c1cccs1)c1cccc(C(F)(F)F)c1.

What is the InChIKey of N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide?

The InChIKey is BNPKCYDUOCAKKS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17F3N2O3S2/c18-17(19,20)13-5-1-4-12(10-13)14(11-22-8-2-6-15(22)23)21-27(24,25)16-7-3-9-26-16/h1,3-5,7,9-10,14,21H,2,6,8,11H2/t14-/m0/s1.

What are the key properties of N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide?

N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide has a molecular weight of 418.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 51946543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).