3-pyridin-2-yl-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]butanamide

C17H19F3N2O2S — CID 130245239

IUPAC3-pyridin-2-yl-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]butanamide
SMILESCC(CC(=O)NC(C)c1ccc(OCC(F)(F)F)s1)c1ccccn1
InChIInChI=1S/C17H19F3N2O2S/c1-11(13-5-3-4-8-21-13)9-15(23)22-12(2)14-6-7-16(25-14)24-10-17(18,19)20/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)
InChIKeyPIVIOVRNVYGIIB-UHFFFAOYSA-N
MW372.41 g/mol
LogP4.46
Rot. Bonds7

About 3-pyridin-2-yl-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]butanamide

3-pyridin-2-yl-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]butanamide (PubChem CID 130245239) has the molecular formula C17H19F3N2O2S and a molecular weight of 372.41 g/mol. Its IUPAC name is 3-pyridin-2-yl-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]butanamide.

Molecular Properties

Compound Name3-pyridin-2-yl-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]butanamide
PubChem CID130245239
Molecular FormulaC17H19F3N2O2S
Molecular Weight372.41 g/mol
Exact Mass372.11
IUPAC Name3-pyridin-2-yl-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]butanamide
SMILESCC(CC(=O)NC(C)c1ccc(OCC(F)(F)F)s1)c1ccccn1
InChIInChI=1S/C17H19F3N2O2S/c1-11(13-5-3-4-8-21-13)9-15(23)22-12(2)14-6-7-16(25-14)24-10-17(18,19)20/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)
InChIKeyPIVIOVRNVYGIIB-UHFFFAOYSA-N
XLogP4.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide
CID 130244798
2-methyl-N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]propane-2-sulfinamide
CID 135377649
(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethanamine
CID 135377639
(3S)-3-pyridin-2-ylbutanoic acid;sulfane
CID 167654157
3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride
CID 119830348
(3R)-1-(2-anilino-2-oxoethyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]pyrrolidine-3-carboxamide
CID 130245117
2-(1-methylbenzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide
CID 130245175
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
3-methyl-5-oxo-5-[[(1S)-1-pyridin-2-ylethyl]amino]pentanoic acid
CID 81399842
4-amino-3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butanamide
CID 103156393
1-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]pyrrolidine-3-carboxamide
CID 135377823
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]butanamide?
The IUPAC name of 3-pyridin-2-yl-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]butanamide (CID 130245239) is 3-pyridin-2-yl-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]butanamide.
What is the SMILES notation for 3-pyridin-2-yl-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]butanamide?
The canonical SMILES for 3-pyridin-2-yl-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]butanamide is CC(CC(=O)NC(C)c1ccc(OCC(F)(F)F)s1)c1ccccn1.
What is the InChIKey of 3-pyridin-2-yl-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]butanamide?
The InChIKey is PIVIOVRNVYGIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2S/c1-11(13-5-3-4-8-21-13)9-15(23)22-12(2)14-6-7-16(25-14)24-10-17(18,19)20/h3-8,11-12H,9-10H2,1-2H3,(H,22,23).
What are the key properties of 3-pyridin-2-yl-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]butanamide?
3-pyridin-2-yl-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]butanamide has a molecular weight of 372.41 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]butanamide is sourced from PubChem (CID 130245239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).