N-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide

C17H14BrNOS — CID 60793818

IUPACN-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C17H14BrNOS/c1-10-7-13(18)8-11(2)16(10)19-17(20)15-9-12-5-3-4-6-14(12)21-15/h3-9H,1-2H3,(H,19,20)
InChIKeyJOJTURBURSLXFF-UHFFFAOYSA-N
MW360.28 g/mol
LogP5.53
Rot. Bonds2

About N-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide

N-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 60793818) has the molecular formula C17H14BrNOS and a molecular weight of 360.28 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
PubChem CID60793818
Molecular FormulaC17H14BrNOS
Molecular Weight360.28 g/mol
Exact Mass359.00
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C17H14BrNOS/c1-10-7-13(18)8-11(2)16(10)19-17(20)15-9-12-5-3-4-6-14(12)21-15/h3-9H,1-2H3,(H,19,20)
InChIKeyJOJTURBURSLXFF-UHFFFAOYSA-N
XLogP5.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.28
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 27844987
N-(4-bromo-2,6-difluorophenyl)-1-benzothiophene-2-carboxamide
CID 65499900
5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide
CID 79989758
N-(2-bromo-6-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 103867716
5-(1-benzothiophene-2-carbonylamino)-3-methylthiophene-2-carboxylic acid
CID 43356641
N-(4-bromo-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 102674100
N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 51250610
N-(4-bromo-2,6-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 60794958
N-(2-amino-6-chlorophenyl)-1-benzothiophene-2-carboxamide
CID 62085161
N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 35029727
5-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide
CID 17246880
N-(4-aminophenyl)-1-benzothiophene-2-carboxamide
CID 22612941

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide (CID 60793818) is N-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide is Cc1cc(Br)cc(C)c1NC(=O)c1cc2ccccc2s1.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is JOJTURBURSLXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNOS/c1-10-7-13(18)8-11(2)16(10)19-17(20)15-9-12-5-3-4-6-14(12)21-15/h3-9H,1-2H3,(H,19,20).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide?
N-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 360.28 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 60793818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).