N-[5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide

C17H20F6N2O2S — CID 86965870

IUPACN-[5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1
InChIInChI=1S/C17H20F6N2O2S/c1-9-7-10(24-13(27)14(2,3)4)28-11(9)12(26)25-6-5-15(8-25,16(18,19)20)17(21,22)23/h7H,5-6,8H2,1-4H3,(H,24,27)
InChIKeyOITYXMIUSFFUHR-UHFFFAOYSA-N
MW430.41 g/mol
LogP5.00
Rot. Bonds2

About N-[5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide

N-[5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide (PubChem CID 86965870) has the molecular formula C17H20F6N2O2S and a molecular weight of 430.41 g/mol. Its IUPAC name is N-[5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
PubChem CID86965870
Molecular FormulaC17H20F6N2O2S
Molecular Weight430.41 g/mol
Exact Mass430.11
IUPAC NameN-[5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1
InChIInChI=1S/C17H20F6N2O2S/c1-9-7-10(24-13(27)14(2,3)4)28-11(9)12(26)25-6-5-15(8-25,16(18,19)20)17(21,22)23/h7H,5-6,8H2,1-4H3,(H,24,27)
InChIKeyOITYXMIUSFFUHR-UHFFFAOYSA-N
XLogP5.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide (CID 86965870) is N-[5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide is Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1.
What is the InChIKey of N-[5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide?
The InChIKey is OITYXMIUSFFUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F6N2O2S/c1-9-7-10(24-13(27)14(2,3)4)28-11(9)12(26)25-6-5-15(8-25,16(18,19)20)17(21,22)23/h7H,5-6,8H2,1-4H3,(H,24,27).
What are the key properties of N-[5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide?
N-[5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide has a molecular weight of 430.41 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3,3-bis(trifluoromethyl)pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 86965870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).