2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

C12H15F3N2O3S2 — CID 37266996

IUPAC2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCC(F)(F)F
InChIInChI=1S/C12H15F3N2O3S2/c13-12(14,15)8-16-10(18)7-9-3-4-11(21-9)22(19,20)17-5-1-2-6-17/h3-4H,1-2,5-8H2,(H,16,18)
InChIKeyUMMRYRWGTWDSSW-UHFFFAOYSA-N
MW356.39 g/mol
LogP1.75
Rot. Bonds5

About 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 37266996) has the molecular formula C12H15F3N2O3S2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID37266996
Molecular FormulaC12H15F3N2O3S2
Molecular Weight356.39 g/mol
Exact Mass356.05
IUPAC Name2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCC(F)(F)F
InChIInChI=1S/C12H15F3N2O3S2/c13-12(14,15)8-16-10(18)7-9-3-4-11(21-9)22(19,20)17-5-1-2-6-17/h3-4H,1-2,5-8H2,(H,16,18)
InChIKeyUMMRYRWGTWDSSW-UHFFFAOYSA-N
XLogP1.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 37266996) is 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCC(F)(F)F.
What is the InChIKey of 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UMMRYRWGTWDSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S2/c13-12(14,15)8-16-10(18)7-9-3-4-11(21-9)22(19,20)17-5-1-2-6-17/h3-4H,1-2,5-8H2,(H,16,18).
What are the key properties of 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 356.39 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 37266996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).