N-[(1S)-1-cyclopropylethyl]-4-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide

C16H15F4NOS — CID 8834857

IUPACN-[(1S)-1-cyclopropylethyl]-4-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide
SMILESC[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1cc2c(F)cccc2s1
InChIInChI=1S/C16H15F4NOS/c1-9(10-5-6-10)21(8-16(18,19)20)15(22)14-7-11-12(17)3-2-4-13(11)23-14/h2-4,7,9-10H,5-6,8H2,1H3/t9-/m0/s1
InChIKeyAOXHSFPVGVGJJU-VIFPVBQESA-N
MW345.36 g/mol
LogP4.84
Rot. Bonds4

About N-[(1S)-1-cyclopropylethyl]-4-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide

N-[(1S)-1-cyclopropylethyl]-4-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide (PubChem CID 8834857) has the molecular formula C16H15F4NOS and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-4-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-4-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide
PubChem CID8834857
Molecular FormulaC16H15F4NOS
Molecular Weight345.36 g/mol
Exact Mass345.08
IUPAC NameN-[(1S)-1-cyclopropylethyl]-4-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide
SMILESC[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1cc2c(F)cccc2s1
InChIInChI=1S/C16H15F4NOS/c1-9(10-5-6-10)21(8-16(18,19)20)15(22)14-7-11-12(17)3-2-4-13(11)23-14/h2-4,7,9-10H,5-6,8H2,1H3/t9-/m0/s1
InChIKeyAOXHSFPVGVGJJU-VIFPVBQESA-N
XLogP4.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-cyclopropylethyl]-4-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 60629074
N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 60715950
3,5-diamino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61106090
N-ethyl-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 134023621
2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 60629066
2-amino-N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 63110222
2-amino-4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61106833
N-(dicyclopropylmethyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 30372793
2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106853406
N-(1-cyclopropylethyl)-2,3-difluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105380482
N-(1-cyclopropylethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide
CID 71900831
4-fluoro-N-(2-hydroxy-3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 115744570

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-4-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-4-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide (CID 8834857) is N-[(1S)-1-cyclopropylethyl]-4-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-4-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-4-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide is C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1cc2c(F)cccc2s1.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-4-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is AOXHSFPVGVGJJU-VIFPVBQESA-N. The full InChI is InChI=1S/C16H15F4NOS/c1-9(10-5-6-10)21(8-16(18,19)20)15(22)14-7-11-12(17)3-2-4-13(11)23-14/h2-4,7,9-10H,5-6,8H2,1H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-4-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide?
N-[(1S)-1-cyclopropylethyl]-4-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-4-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 8834857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).