4-fluoro-N-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophene-2-carboxamide

C16H13FN2OS — CID 9118932

IUPAC4-fluoro-N-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophene-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c(F)cccc2s1)c1ccccn1
InChIInChI=1S/C16H13FN2OS/c1-10(13-6-2-3-8-18-13)19-16(20)15-9-11-12(17)5-4-7-14(11)21-15/h2-10H,1H3,(H,19,20)/t10-/m1/s1
InChIKeyAEFBRSWNIDKOCX-SNVBAGLBSA-N
MW300.36 g/mol
LogP3.93
Rot. Bonds3

About 4-fluoro-N-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophene-2-carboxamide

4-fluoro-N-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophene-2-carboxamide (PubChem CID 9118932) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-fluoro-N-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophene-2-carboxamide
PubChem CID9118932
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name4-fluoro-N-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophene-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c(F)cccc2s1)c1ccccn1
InChIInChI=1S/C16H13FN2OS/c1-10(13-6-2-3-8-18-13)19-16(20)15-9-11-12(17)5-4-7-14(11)21-15/h2-10H,1H3,(H,19,20)/t10-/m1/s1
InChIKeyAEFBRSWNIDKOCX-SNVBAGLBSA-N
XLogP3.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(1-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide
CID 61094816
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55963207
N-[1-(3-acetamidophenyl)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 43057862
methyl (2R)-2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-3-methylbutanoate
CID 51681533
5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide
CID 61092654
4-fluoro-N-[(2R)-1-methoxypropan-2-yl]-1-benzothiophene-2-carboxamide
CID 30481509
N-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide
CID 35940231
N-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophene-3-carboxamide
CID 25343199
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 103850889
3-amino-5-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 60862531
N-(dicyclopropylmethyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 30372793
1-[(4-chlorophenyl)methyl]-3-methyl-N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 112758871

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophene-2-carboxamide (CID 9118932) is 4-fluoro-N-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophene-2-carboxamide is C[C@@H](NC(=O)c1cc2c(F)cccc2s1)c1ccccn1.
What is the InChIKey of 4-fluoro-N-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is AEFBRSWNIDKOCX-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-10(13-6-2-3-8-18-13)19-16(20)15-9-11-12(17)5-4-7-14(11)21-15/h2-10H,1H3,(H,19,20)/t10-/m1/s1.
What are the key properties of 4-fluoro-N-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophene-2-carboxamide?
4-fluoro-N-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 9118932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).