N-(6-bromo-2-methyl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C15H13BrN2OS — CID 103909801

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1nc(Br)ccc1NC(=O)C1Cc2ccccc2S1
InChIInChI=1S/C15H13BrN2OS/c1-9-11(6-7-14(16)17-9)18-15(19)13-8-10-4-2-3-5-12(10)20-13/h2-7,13H,8H2,1H3,(H,18,19)
InChIKeyBCYBNSMUEANFRG-UHFFFAOYSA-N
MW349.25 g/mol
LogP3.81
Rot. Bonds2

About N-(6-bromo-2-methyl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(6-bromo-2-methyl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 103909801) has the molecular formula C15H13BrN2OS and a molecular weight of 349.25 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID103909801
Molecular FormulaC15H13BrN2OS
Molecular Weight349.25 g/mol
Exact Mass347.99
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1nc(Br)ccc1NC(=O)C1Cc2ccccc2S1
InChIInChI=1S/C15H13BrN2OS/c1-9-11(6-7-14(16)17-9)18-15(19)13-8-10-4-2-3-5-12(10)20-13/h2-7,13H,8H2,1H3,(H,18,19)
InChIKeyBCYBNSMUEANFRG-UHFFFAOYSA-N
XLogP3.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 112723306
N-(4-hydroxy-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79001432
(2R)-N-(2-hydroxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51489865
N-(2-aminophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79207464
N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24592552
N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51309078
N-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42885438
(2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 25348624
N-[2-(2-bromoanilino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24681727
N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51314339
N-(6-bromo-2-methyl-3-pyridinyl)cyclohexanecarboxamide
CID 103909516
(2S)-N-(1-methylpyrazol-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 94794619

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 103909801) is N-(6-bromo-2-methyl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is Cc1nc(Br)ccc1NC(=O)C1Cc2ccccc2S1.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is BCYBNSMUEANFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2OS/c1-9-11(6-7-14(16)17-9)18-15(19)13-8-10-4-2-3-5-12(10)20-13/h2-7,13H,8H2,1H3,(H,18,19).
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(6-bromo-2-methyl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 349.25 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 103909801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).