1-(thiophene-2-carbonyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide

C19H19F3N2O2S — CID 51150537

IUPAC1-(thiophene-2-carbonyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1C(=O)c1cccs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O2S/c1-12(13-5-2-6-14(11-13)19(20,21)22)23-17(25)15-7-3-9-24(15)18(26)16-8-4-10-27-16/h2,4-6,8,10-12,15H,3,7,9H2,1H3,(H,23,25)
InChIKeyUDFFHVXTZWLIAO-UHFFFAOYSA-N
MW396.43 g/mol
LogP4.25
Rot. Bonds4

About 1-(thiophene-2-carbonyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide

1-(thiophene-2-carbonyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 51150537) has the molecular formula C19H19F3N2O2S and a molecular weight of 396.43 g/mol. Its IUPAC name is 1-(thiophene-2-carbonyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(thiophene-2-carbonyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
PubChem CID51150537
Molecular FormulaC19H19F3N2O2S
Molecular Weight396.43 g/mol
Exact Mass396.11
IUPAC Name1-(thiophene-2-carbonyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1C(=O)c1cccs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O2S/c1-12(13-5-2-6-14(11-13)19(20,21)22)23-17(25)15-7-3-9-24(15)18(26)16-8-4-10-27-16/h2,4-6,8,10-12,15H,3,7,9H2,1H3,(H,23,25)
InChIKeyUDFFHVXTZWLIAO-UHFFFAOYSA-N
XLogP4.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(thiophene-2-carbonyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 55940988
(2S)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 46580849
N-(1-naphthalen-1-ylethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 47004895
2-[[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]amino]propanoic acid
CID 119348963
N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide
CID 112764056
(2R)-4-methyl-2-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 119364822
N-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 78768339
2-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 119224134
1-prop-2-ynyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 51091244
(2S)-N-[(2R)-octan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 96563528
(2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 94188023
(2S)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 94473764

Frequently Asked Questions

What is the IUPAC name of 1-(thiophene-2-carbonyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(thiophene-2-carbonyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide (CID 51150537) is 1-(thiophene-2-carbonyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(thiophene-2-carbonyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(thiophene-2-carbonyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide is CC(NC(=O)C1CCCN1C(=O)c1cccs1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(thiophene-2-carbonyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is UDFFHVXTZWLIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2S/c1-12(13-5-2-6-14(11-13)19(20,21)22)23-17(25)15-7-3-9-24(15)18(26)16-8-4-10-27-16/h2,4-6,8,10-12,15H,3,7,9H2,1H3,(H,23,25).
What are the key properties of 1-(thiophene-2-carbonyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide?
1-(thiophene-2-carbonyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophene-2-carbonyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 51150537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).