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

C16H14BrNOS — CID 42931033

IUPACN-(3-bromophenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(c1)SC(C(=O)Nc1cccc(Br)c1)C2
InChIInChI=1S/C16H14BrNOS/c1-10-5-6-11-8-15(20-14(11)7-10)16(19)18-13-4-2-3-12(17)9-13/h2-7,9,15H,8H2,1H3,(H,18,19)
InChIKeyCQAIECOEXRLLDF-UHFFFAOYSA-N
MW348.27 g/mol
LogP4.41
Rot. Bonds2

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

N-(3-bromophenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 42931033) has the molecular formula C16H14BrNOS and a molecular weight of 348.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID42931033
Molecular FormulaC16H14BrNOS
Molecular Weight348.27 g/mol
Exact Mass347.00
IUPAC NameN-(3-bromophenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(c1)SC(C(=O)Nc1cccc(Br)c1)C2
InChIInChI=1S/C16H14BrNOS/c1-10-5-6-11-8-15(20-14(11)7-10)16(19)18-13-4-2-3-12(17)9-13/h2-7,9,15H,8H2,1H3,(H,18,19)
InChIKeyCQAIECOEXRLLDF-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

(2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 25399675
6-methyl-N-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42883964
N-(2-fluoro-4-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42887934
N-(4-chloro-2-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931047
N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 112723306
(2R)-N-(2,5-dimethoxyphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 40804658
2,2-dimethyl-1-(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)propan-1-one
CID 59630751
6-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24597293
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 26002873
N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51309078
N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837156
N-(3-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26914002

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(3-bromophenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 42931033) is N-(3-bromophenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide is Cc1ccc2c(c1)SC(C(=O)Nc1cccc(Br)c1)C2.
What is the InChIKey of N-(3-bromophenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is CQAIECOEXRLLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNOS/c1-10-5-6-11-8-15(20-14(11)7-10)16(19)18-13-4-2-3-12(17)9-13/h2-7,9,15H,8H2,1H3,(H,18,19).
What are the key properties of N-(3-bromophenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(3-bromophenyl)-6-methyl-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-(3-bromophenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 42931033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).