N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C16H14BrNOS — CID 112723306

IUPACN-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)C1Cc2ccccc2S1
InChIInChI=1S/C16H14BrNOS/c1-10-8-12(17)6-7-13(10)18-16(19)15-9-11-4-2-3-5-14(11)20-15/h2-8,15H,9H2,1H3,(H,18,19)
InChIKeyAMSXJBNPLGAJQR-UHFFFAOYSA-N
MW348.27 g/mol
LogP4.41
Rot. Bonds2

About N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 112723306) has the molecular formula C16H14BrNOS and a molecular weight of 348.27 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID112723306
Molecular FormulaC16H14BrNOS
Molecular Weight348.27 g/mol
Exact Mass347.00
IUPAC NameN-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)C1Cc2ccccc2S1
InChIInChI=1S/C16H14BrNOS/c1-10-8-12(17)6-7-13(10)18-16(19)15-9-11-4-2-3-5-14(11)20-15/h2-8,15H,9H2,1H3,(H,18,19)
InChIKeyAMSXJBNPLGAJQR-UHFFFAOYSA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxy-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79001432
N-(6-bromo-2-methyl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 103909801
(2R)-N-(2-hydroxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51489865
N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51314339
N-(2-aminophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79207464
N-(4-chloro-2-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931047
N-(4-bromo-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 60675882
N-(3-bromophenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931033
N-[2-(2-bromoanilino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24681727
(2R)-N-(2-fluoro-5-methylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 34188852
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

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 112723306) is N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is Cc1cc(Br)ccc1NC(=O)C1Cc2ccccc2S1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is AMSXJBNPLGAJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNOS/c1-10-8-12(17)6-7-13(10)18-16(19)15-9-11-4-2-3-5-14(11)20-15/h2-8,15H,9H2,1H3,(H,18,19).
What are the key properties of N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 348.27 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 112723306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).