1-(5-ethylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C13H17F3N2O3S2 — CID 51121896

IUPAC1-(5-ethylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCCc1ccc(S(=O)(=O)N2CCCC2C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C13H17F3N2O3S2/c1-2-9-5-6-11(22-9)23(20,21)18-7-3-4-10(18)12(19)17-8-13(14,15)16/h5-6,10H,2-4,7-8H2,1H3,(H,17,19)
InChIKeyVBRTYQFHJIDYQA-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.14
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

1-(5-ethylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 51121896) has the molecular formula C13H17F3N2O3S2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID51121896
Molecular FormulaC13H17F3N2O3S2
Molecular Weight370.42 g/mol
Exact Mass370.06
IUPAC Name1-(5-ethylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCCc1ccc(S(=O)(=O)N2CCCC2C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C13H17F3N2O3S2/c1-2-9-5-6-11(22-9)23(20,21)18-7-3-4-10(18)12(19)17-8-13(14,15)16/h5-6,10H,2-4,7-8H2,1H3,(H,17,19)
InChIKeyVBRTYQFHJIDYQA-UHFFFAOYSA-N
XLogP2.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2084509
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CID 2566033
1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 2999598
(E)-2-(5-methylthiophen-2-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]ethenesulfonamide
CID 9979006
(2S)-1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 2517258
N-[2-[5-[methyl(pentan-3-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 47068796
N-[2-[5-[butan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 51108780
(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide
CID 155517136
2,5-dimethyl-N-(2-oxoazepan-3-yl)thiophene-3-sulfonamide
CID 2738669
5-ethyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide
CID 71789129
1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 47027455
N-(1,1-dioxothiolan-3-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]acetamide
CID 51103352

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 51121896) is 1-(5-ethylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CCc1ccc(S(=O)(=O)N2CCCC2C(=O)NCC(F)(F)F)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is VBRTYQFHJIDYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3S2/c1-2-9-5-6-11(22-9)23(20,21)18-7-3-4-10(18)12(19)17-8-13(14,15)16/h5-6,10H,2-4,7-8H2,1H3,(H,17,19).
What are the key properties of 1-(5-ethylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
1-(5-ethylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51121896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).