N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide

C13H14F3NO2S — CID 103915671

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESO=C(C1CSc2ccccc21)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H14F3NO2S/c14-13(15,16)8-17(5-6-18)12(19)10-7-20-11-4-2-1-3-9(10)11/h1-4,10,18H,5-8H2
InChIKeyYJRVPSHOKUABNQ-UHFFFAOYSA-N
MW305.32 g/mol
LogP2.26
Rot. Bonds4

About N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 103915671) has the molecular formula C13H14F3NO2S and a molecular weight of 305.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID103915671
Molecular FormulaC13H14F3NO2S
Molecular Weight305.32 g/mol
Exact Mass305.07
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESO=C(C1CSc2ccccc21)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H14F3NO2S/c14-13(15,16)8-17(5-6-18)12(19)10-7-20-11-4-2-1-3-9(10)11/h1-4,10,18H,5-8H2
InChIKeyYJRVPSHOKUABNQ-UHFFFAOYSA-N
XLogP2.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79214145
N-butyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79212256
N-(3-amino-2,2-dimethylpropyl)-N-propyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79663417
2-[[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 124516113
2-[2,3-dihydro-1-benzothiophene-3-carbonyl(methyl)amino]acetic acid
CID 79213652
N-(2-chloroethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79212817
3-[2,3-dihydro-1-benzothiophene-3-carbonyl(ethyl)amino]-2-methylpropanoic acid
CID 79212775
9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
CID 107483352
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 107493571
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211877

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide (CID 103915671) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide is O=C(C1CSc2ccccc21)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is YJRVPSHOKUABNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2S/c14-13(15,16)8-17(5-6-18)12(19)10-7-20-11-4-2-1-3-9(10)11/h1-4,10,18H,5-8H2.
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 305.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 103915671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).