N-(5-bromothiophen-2-yl)-N-methyl-3-(methylamino)benzamide

C13H13BrN2OS — CID 115160861

IUPACN-(5-bromothiophen-2-yl)-N-methyl-3-(methylamino)benzamide
SMILESCNc1cccc(C(=O)N(C)c2ccc(Br)s2)c1
InChIInChI=1S/C13H13BrN2OS/c1-15-10-5-3-4-9(8-10)13(17)16(2)12-7-6-11(14)18-12/h3-8,15H,1-2H3
InChIKeyYKPIYDFEVZZKAE-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.83
Rot. Bonds3

About N-(5-bromothiophen-2-yl)-N-methyl-3-(methylamino)benzamide

N-(5-bromothiophen-2-yl)-N-methyl-3-(methylamino)benzamide (PubChem CID 115160861) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is N-(5-bromothiophen-2-yl)-N-methyl-3-(methylamino)benzamide.

Molecular Properties

Compound NameN-(5-bromothiophen-2-yl)-N-methyl-3-(methylamino)benzamide
PubChem CID115160861
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC NameN-(5-bromothiophen-2-yl)-N-methyl-3-(methylamino)benzamide
SMILESCNc1cccc(C(=O)N(C)c2ccc(Br)s2)c1
InChIInChI=1S/C13H13BrN2OS/c1-15-10-5-3-4-9(8-10)13(17)16(2)12-7-6-11(14)18-12/h3-8,15H,1-2H3
InChIKeyYKPIYDFEVZZKAE-UHFFFAOYSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-(methylamino)benzamide;ethane
CID 91408702
N-tert-butyl-N-methyl-3-(methylamino)benzamide
CID 115160852
3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43725444
N-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide
CID 115193397
N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide
CID 70790159
N-cyclobutyl-N-methyl-3-(methylamino)benzamide
CID 115160881
3-(methylamino)benzamide
CID 18727714
3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide
CID 47314027
ethane;3-(methylamino)benzamide
CID 142071023
3-(methylamino)benzoic acid;hydrochloride
CID 55250935
N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide
CID 115167022
3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739345

Frequently Asked Questions

What is the IUPAC name of N-(5-bromothiophen-2-yl)-N-methyl-3-(methylamino)benzamide?
The IUPAC name of N-(5-bromothiophen-2-yl)-N-methyl-3-(methylamino)benzamide (CID 115160861) is N-(5-bromothiophen-2-yl)-N-methyl-3-(methylamino)benzamide.
What is the SMILES notation for N-(5-bromothiophen-2-yl)-N-methyl-3-(methylamino)benzamide?
The canonical SMILES for N-(5-bromothiophen-2-yl)-N-methyl-3-(methylamino)benzamide is CNc1cccc(C(=O)N(C)c2ccc(Br)s2)c1.
What is the InChIKey of N-(5-bromothiophen-2-yl)-N-methyl-3-(methylamino)benzamide?
The InChIKey is YKPIYDFEVZZKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-15-10-5-3-4-9(8-10)13(17)16(2)12-7-6-11(14)18-12/h3-8,15H,1-2H3.
What are the key properties of N-(5-bromothiophen-2-yl)-N-methyl-3-(methylamino)benzamide?
N-(5-bromothiophen-2-yl)-N-methyl-3-(methylamino)benzamide has a molecular weight of 325.23 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromothiophen-2-yl)-N-methyl-3-(methylamino)benzamide is sourced from PubChem (CID 115160861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).