N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide

C12H10F3NO2S — CID 103723346

IUPACN-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1cc2ccccc2s1
InChIInChI=1S/C12H10F3NO2S/c13-12(14,15)10(17)6-16-11(18)9-5-7-3-1-2-4-8(7)19-9/h1-5,10,17H,6H2,(H,16,18)
InChIKeyACYRROWVWNVYBV-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.55
Rot. Bonds3

About N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide

N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide (PubChem CID 103723346) has the molecular formula C12H10F3NO2S and a molecular weight of 289.28 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide
PubChem CID103723346
Molecular FormulaC12H10F3NO2S
Molecular Weight289.28 g/mol
Exact Mass289.04
IUPAC NameN-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1cc2ccccc2s1
InChIInChI=1S/C12H10F3NO2S/c13-12(14,15)10(17)6-16-11(18)9-5-7-3-1-2-4-8(7)19-9/h1-5,10,17H,6H2,(H,16,18)
InChIKeyACYRROWVWNVYBV-UHFFFAOYSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide
CID 66176243
N-(2-hydroxy-2-phenylethyl)-1-benzothiophene-2-carboxamide
CID 43393393
methyl 3-(1-benzothiophene-2-carbonylamino)-2-hydroxypropanoate
CID 103879191
N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide
CID 110209283
N-(2,2-difluoro-3-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 113462659
N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
CID 60682166
3-(1-benzothiophene-2-carbonylamino)-2-methoxypropanoic acid
CID 106107256
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-1-benzothiophene-2-carboxamide
CID 62665755
N-(2-chloro-4,4-dimethylpentyl)-1-benzothiophene-2-carboxamide
CID 107157129
N-(2-bromo-3-ethylpentyl)-1-benzothiophene-2-carboxamide
CID 106288355
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 110889455
N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 65109783

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide (CID 103723346) is N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide is O=C(NCC(O)C(F)(F)F)c1cc2ccccc2s1.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide?
The InChIKey is ACYRROWVWNVYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2S/c13-12(14,15)10(17)6-16-11(18)9-5-7-3-1-2-4-8(7)19-9/h1-5,10,17H,6H2,(H,16,18).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide?
N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide has a molecular weight of 289.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 103723346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).