2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide

C15H17BrN2OS — CID 62489282

IUPAC2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide
SMILESCN(Cc1cc(Br)cs1)C(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C15H17BrN2OS/c1-15(17,11-6-4-3-5-7-11)14(19)18(2)9-13-8-12(16)10-20-13/h3-8,10H,9,17H2,1-2H3
InChIKeyUBWMSMJKOTVZBB-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.34
Rot. Bonds4

About 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide

2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide (PubChem CID 62489282) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide
PubChem CID62489282
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC Name2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide
SMILESCN(Cc1cc(Br)cs1)C(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C15H17BrN2OS/c1-15(17,11-6-4-3-5-7-11)14(19)18(2)9-13-8-12(16)10-20-13/h3-8,10H,9,17H2,1-2H3
InChIKeyUBWMSMJKOTVZBB-UHFFFAOYSA-N
XLogP3.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 114328199
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide
CID 120586900
2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide
CID 62489621
2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-phenylpropanamide
CID 120591489
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
N-[(4-bromothiophen-2-yl)methyl]-4-tert-butyl-N-methylbenzamide
CID 63531679
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-phenylprop-2-ynamide
CID 54984428
2-amino-N-(2-hydroxyethyl)-N-methyl-2-phenylpropanamide
CID 62487713
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]benzoic acid
CID 60971340
2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride
CID 120597643
(2S)-2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 61162616
2-amino-N-[(2-ethoxyphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride
CID 120589610

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide (CID 62489282) is 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide is CN(Cc1cc(Br)cs1)C(=O)C(C)(N)c1ccccc1.
What is the InChIKey of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide?
The InChIKey is UBWMSMJKOTVZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-15(17,11-6-4-3-5-7-11)14(19)18(2)9-13-8-12(16)10-20-13/h3-8,10H,9,17H2,1-2H3.
What are the key properties of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide?
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide has a molecular weight of 353.29 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide is sourced from PubChem (CID 62489282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).