N-(1-pyridin-4-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

C14H11F3N2O2S — CID 44589735

IUPACN-(1-pyridin-4-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(C(=O)C(F)(F)F)s1)c1ccncc1
InChIInChI=1S/C14H11F3N2O2S/c1-8(9-4-6-18-7-5-9)19-13(21)11-3-2-10(22-11)12(20)14(15,16)17/h2-8H,1H3,(H,19,21)
InChIKeyWXCYFVSQEDOICZ-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.38
Rot. Bonds4

About N-(1-pyridin-4-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

N-(1-pyridin-4-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 44589735) has the molecular formula C14H11F3N2O2S and a molecular weight of 328.32 g/mol. Its IUPAC name is N-(1-pyridin-4-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-pyridin-4-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID44589735
Molecular FormulaC14H11F3N2O2S
Molecular Weight328.32 g/mol
Exact Mass328.05
IUPAC NameN-(1-pyridin-4-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(C(=O)C(F)(F)F)s1)c1ccncc1
InChIInChI=1S/C14H11F3N2O2S/c1-8(9-4-6-18-7-5-9)19-13(21)11-3-2-10(22-11)12(20)14(15,16)17/h2-8H,1H3,(H,19,21)
InChIKeyWXCYFVSQEDOICZ-UHFFFAOYSA-N
XLogP3.38
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 573874
N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 1511238
7-Bromo-2-Pyridin-4-Yl-5h-Thieno[3,2-C]pyridin-4-One
CID 53245730
5-(2-Pyridyl)thiophene-2-carboxamide
CID 2778719
N-hydroxy-5-(pyridin-3-yl)thiophene-2-carboxamide
CID 44418106
N-hydroxy-5-(pyridin-4-yl)thiophene-2-carboxamide
CID 44418125
4-oxo-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide
CID 2565676
N-[[3-keto-3-(2-thienyl)-1-(trifluoromethyl)propylidene]amino]isonicotinamide
CID 9662919
5-ethyl-N'-[(E)-pyridin-4-ylmethylidene]thiophene-2-carbohydrazide
CID 25237223
5-methyl-N'-[(1Z)-1-(pyridin-4-yl)ethylidene]thiophene-2-carbohydrazide
CID 25237461
N-Pyridin-3-ylmethyl-2-thiophen-2-yl-acetamide
CID 669966
(4-Fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-thiophen-2-yl-methanone
CID 25265257

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-4-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of N-(1-pyridin-4-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 44589735) is N-(1-pyridin-4-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-pyridin-4-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-pyridin-4-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is CC(NC(=O)c1ccc(C(=O)C(F)(F)F)s1)c1ccncc1.
What is the InChIKey of N-(1-pyridin-4-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is WXCYFVSQEDOICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2S/c1-8(9-4-6-18-7-5-9)19-13(21)11-3-2-10(22-11)12(20)14(15,16)17/h2-8H,1H3,(H,19,21).
What are the key properties of N-(1-pyridin-4-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
N-(1-pyridin-4-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 44589735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).