N-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophene-3-carboxamide

C16H14N2OS — CID 25343199

IUPACN-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophene-3-carboxamide
SMILESC[C@H](NC(=O)c1csc2ccccc12)c1ccccn1
InChIInChI=1S/C16H14N2OS/c1-11(14-7-4-5-9-17-14)18-16(19)13-10-20-15-8-3-2-6-12(13)15/h2-11H,1H3,(H,18,19)/t11-/m0/s1
InChIKeyXKVYZOZAMZZIEY-NSHDSACASA-N
MW282.37 g/mol
LogP3.79
Rot. Bonds3

About N-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophene-3-carboxamide

N-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophene-3-carboxamide (PubChem CID 25343199) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophene-3-carboxamide
PubChem CID25343199
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophene-3-carboxamide
SMILESC[C@H](NC(=O)c1csc2ccccc12)c1ccccn1
InChIInChI=1S/C16H14N2OS/c1-11(14-7-4-5-9-17-14)18-16(19)13-10-20-15-8-3-2-6-12(13)15/h2-11H,1H3,(H,18,19)/t11-/m0/s1
InChIKeyXKVYZOZAMZZIEY-NSHDSACASA-N
XLogP3.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
N-[(2S)-3,3-dimethylbutan-2-yl]-1-benzothiophene-3-carboxamide
CID 1246729
2-(methylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406697
N-(1-bromopropan-2-yl)-1-benzothiophene-3-carboxamide
CID 114310766
3-hydroxy-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 82829719
(2S)-2-(1-benzothiophene-3-carbonylamino)-3-methylbutanoic acid
CID 55012835
N-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide
CID 35940231
N-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide
CID 1247032
N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 63037034
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
3-hydroxy-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 81443248
3-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 43007029

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophene-3-carboxamide (CID 25343199) is N-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophene-3-carboxamide is C[C@H](NC(=O)c1csc2ccccc12)c1ccccn1.
What is the InChIKey of N-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophene-3-carboxamide?
The InChIKey is XKVYZOZAMZZIEY-NSHDSACASA-N. The full InChI is InChI=1S/C16H14N2OS/c1-11(14-7-4-5-9-17-14)18-16(19)13-10-20-15-8-3-2-6-12(13)15/h2-11H,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophene-3-carboxamide?
N-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophene-3-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 25343199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).