4-amino-3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzamide

C14H15BrN2OS — CID 79494740

IUPAC4-amino-3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESCN(CCc1cccs1)C(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C14H15BrN2OS/c1-17(7-6-11-3-2-8-19-11)14(18)10-4-5-13(16)12(15)9-10/h2-5,8-9H,6-7,16H2,1H3
InChIKeyMWIMKFAUWGOHQA-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.41
Rot. Bonds4

About 4-amino-3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzamide

4-amino-3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 79494740) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 4-amino-3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID79494740
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name4-amino-3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESCN(CCc1cccs1)C(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C14H15BrN2OS/c1-17(7-6-11-3-2-8-19-11)14(18)10-4-5-13(16)12(15)9-10/h2-5,8-9H,6-7,16H2,1H3
InChIKeyMWIMKFAUWGOHQA-UHFFFAOYSA-N
XLogP3.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79019362
4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82833096
3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 79036876
N-methyl-4-(methylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 79487638
3-hydroxy-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 103712023
N-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide
CID 79036748
2-bromo-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 79046945
4-chloro-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 79046946
4-fluoro-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 79046947
5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036874
4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 79036710
4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036891

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-amino-3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzamide (CID 79494740) is 4-amino-3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-amino-3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-amino-3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzamide is CN(CCc1cccs1)C(=O)c1ccc(N)c(Br)c1.
What is the InChIKey of 4-amino-3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is MWIMKFAUWGOHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-17(7-6-11-3-2-8-19-11)14(18)10-4-5-13(16)12(15)9-10/h2-5,8-9H,6-7,16H2,1H3.
What are the key properties of 4-amino-3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzamide?
4-amino-3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 339.26 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 79494740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).