(2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C15H14N2OS — CID 25348624

IUPAC(2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)nc1
InChIInChI=1S/C15H14N2OS/c1-10-6-7-14(16-9-10)17-15(18)13-8-11-4-2-3-5-12(11)19-13/h2-7,9,13H,8H2,1H3,(H,16,17,18)/t13-/m0/s1
InChIKeyRTIQKQYGTTWSFC-ZDUSSCGKSA-N
MW270.36 g/mol
LogP3.05
Rot. Bonds2

About (2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

(2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 25348624) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is (2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID25348624
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name(2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)nc1
InChIInChI=1S/C15H14N2OS/c1-10-6-7-14(16-9-10)17-15(18)13-8-11-4-2-3-5-12(11)19-13/h2-7,9,13H,8H2,1H3,(H,16,17,18)/t13-/m0/s1
InChIKeyRTIQKQYGTTWSFC-ZDUSSCGKSA-N
XLogP3.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42885438
(2S)-N-(1-methylpyrazol-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 94794619
(2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148110
N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43185845
(2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 25399675
N-(6-bromo-2-methyl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 103909801
N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 112723306
3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 6467718
N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931099
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24592354
trans-(1S,3S)-3-methyl-N-(5-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 58763333
(2R)-N-[1-(2-hydroxyethyl)pyrazol-4-yl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 94798405

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of (2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 25348624) is (2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for (2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)nc1.
What is the InChIKey of (2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is RTIQKQYGTTWSFC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10-6-7-14(16-9-10)17-15(18)13-8-11-4-2-3-5-12(11)19-13/h2-7,9,13H,8H2,1H3,(H,16,17,18)/t13-/m0/s1.
What are the key properties of (2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
(2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 25348624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).