N-(1-benzothiophen-5-yl)-2-bromo-5-methylbenzamide

C16H12BrNOS — CID 80980410

IUPACN-(1-benzothiophen-5-yl)-2-bromo-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc3sccc3c2)c1
InChIInChI=1S/C16H12BrNOS/c1-10-2-4-14(17)13(8-10)16(19)18-12-3-5-15-11(9-12)6-7-20-15/h2-9H,1H3,(H,18,19)
InChIKeyITLLMSSOERWPRZ-UHFFFAOYSA-N
MW346.25 g/mol
LogP5.22
Rot. Bonds2

About N-(1-benzothiophen-5-yl)-2-bromo-5-methylbenzamide

N-(1-benzothiophen-5-yl)-2-bromo-5-methylbenzamide (PubChem CID 80980410) has the molecular formula C16H12BrNOS and a molecular weight of 346.25 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-2-bromo-5-methylbenzamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-2-bromo-5-methylbenzamide
PubChem CID80980410
Molecular FormulaC16H12BrNOS
Molecular Weight346.25 g/mol
Exact Mass344.98
IUPAC NameN-(1-benzothiophen-5-yl)-2-bromo-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc3sccc3c2)c1
InChIInChI=1S/C16H12BrNOS/c1-10-2-4-14(17)13(8-10)16(19)18-12-3-5-15-11(9-12)6-7-20-15/h2-9H,1H3,(H,18,19)
InChIKeyITLLMSSOERWPRZ-UHFFFAOYSA-N
XLogP5.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.25
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzothiophen-5-yl)-2,5-dibromobenzamide
CID 114371119
N-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide
CID 103872126
3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide
CID 62057837
N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81110900
2-bromo-N-(4-iodophenyl)-5-methylbenzamide
CID 81109566
4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid
CID 81110247
3-[(2-bromo-5-methylbenzoyl)amino]thiophene-2-carboxylic acid
CID 81109933
2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 81112261
2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 81110310
2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide
CID 81003369
5-amino-N-(1-benzothiophen-5-yl)-2,3-dichlorobenzamide
CID 107185377
2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide
CID 81110211

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-2-bromo-5-methylbenzamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-2-bromo-5-methylbenzamide (CID 80980410) is N-(1-benzothiophen-5-yl)-2-bromo-5-methylbenzamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-2-bromo-5-methylbenzamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-2-bromo-5-methylbenzamide is Cc1ccc(Br)c(C(=O)Nc2ccc3sccc3c2)c1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-2-bromo-5-methylbenzamide?
The InChIKey is ITLLMSSOERWPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNOS/c1-10-2-4-14(17)13(8-10)16(19)18-12-3-5-15-11(9-12)6-7-20-15/h2-9H,1H3,(H,18,19).
What are the key properties of N-(1-benzothiophen-5-yl)-2-bromo-5-methylbenzamide?
N-(1-benzothiophen-5-yl)-2-bromo-5-methylbenzamide has a molecular weight of 346.25 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-2-bromo-5-methylbenzamide is sourced from PubChem (CID 80980410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).