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

C15H13BrN2OS — CID 75388630

IUPACN-(3-bromo-5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESCc1cnc(NC(=O)C2CSc3ccccc32)c(Br)c1
InChIInChI=1S/C15H13BrN2OS/c1-9-6-12(16)14(17-7-9)18-15(19)11-8-20-13-5-3-2-4-10(11)13/h2-7,11H,8H2,1H3,(H,17,18,19)
InChIKeyFDVCNRXZTNQHNH-UHFFFAOYSA-N
MW349.25 g/mol
LogP3.98
Rot. Bonds2

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

N-(3-bromo-5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 75388630) has the molecular formula C15H13BrN2OS and a molecular weight of 349.25 g/mol. Its IUPAC name is N-(3-bromo-5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID75388630
Molecular FormulaC15H13BrN2OS
Molecular Weight349.25 g/mol
Exact Mass347.99
IUPAC NameN-(3-bromo-5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESCc1cnc(NC(=O)C2CSc3ccccc32)c(Br)c1
InChIInChI=1S/C15H13BrN2OS/c1-9-6-12(16)14(17-7-9)18-15(19)11-8-20-13-5-3-2-4-10(11)13/h2-7,11H,8H2,1H3,(H,17,18,19)
InChIKeyFDVCNRXZTNQHNH-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(3-bromo-5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide (CID 75388630) is N-(3-bromo-5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(3-bromo-5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide is Cc1cnc(NC(=O)C2CSc3ccccc32)c(Br)c1.
What is the InChIKey of N-(3-bromo-5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is FDVCNRXZTNQHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2OS/c1-9-6-12(16)14(17-7-9)18-15(19)11-8-20-13-5-3-2-4-10(11)13/h2-7,11H,8H2,1H3,(H,17,18,19).
What are the key properties of N-(3-bromo-5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
N-(3-bromo-5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 349.25 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 75388630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).