1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone

C15H16BrNOS — CID 62036953

IUPAC1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
SMILESCc1ccccc1CN(C)CC(=O)c1ccc(Br)s1
InChIInChI=1S/C15H16BrNOS/c1-11-5-3-4-6-12(11)9-17(2)10-13(18)14-7-8-15(16)19-14/h3-8H,9-10H2,1-2H3
InChIKeyZDHWMDFOBLRSBF-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.13
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone

1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone (PubChem CID 62036953) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
PubChem CID62036953
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
SMILESCc1ccccc1CN(C)CC(=O)c1ccc(Br)s1
InChIInChI=1S/C15H16BrNOS/c1-11-5-3-4-6-12(11)9-17(2)10-13(18)14-7-8-15(16)19-14/h3-8H,9-10H2,1-2H3
InChIKeyZDHWMDFOBLRSBF-UHFFFAOYSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone 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-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone
CID 62036527
1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone
CID 43794754
2-[(2-bromophenyl)methyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone
CID 62036144
1-(3,4-dimethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650744
ethane;2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 142212202
1-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650805
1-(5-bromothiophen-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008744
1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone
CID 62860457
1-(5-bromothiophen-2-yl)-2-(N,3,5-trimethylanilino)ethanone
CID 63567722
5-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 61077053
1-(2,4-dichlorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650610
2-[[2-(5-bromothiophen-2-yl)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 60681800

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone (CID 62036953) is 1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone is Cc1ccccc1CN(C)CC(=O)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone?
The InChIKey is ZDHWMDFOBLRSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-11-5-3-4-6-12(11)9-17(2)10-13(18)14-7-8-15(16)19-14/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone?
1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone has a molecular weight of 338.27 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone is sourced from PubChem (CID 62036953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).