N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

C10H12F3NO2S — CID 103915372

IUPACN-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCc1cscc1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c1-7-4-17-5-8(7)9(16)14(2-3-15)6-10(11,12)13/h4-5,15H,2-3,6H2,1H3
InChIKeyNZEJPUYJUFKIKA-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.05
Rot. Bonds4

About N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 103915372) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID103915372
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC NameN-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCc1cscc1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c1-7-4-17-5-8(7)9(16)14(2-3-15)6-10(11,12)13/h4-5,15H,2-3,6H2,1H3
InChIKeyNZEJPUYJUFKIKA-UHFFFAOYSA-N
XLogP2.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 103915372) is N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is Cc1cscc1C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is NZEJPUYJUFKIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-7-4-17-5-8(7)9(16)14(2-3-15)6-10(11,12)13/h4-5,15H,2-3,6H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 267.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 103915372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).