1-(2-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone

C14H14BrNOS — CID 62052197

IUPAC1-(2-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1ccccc1Br)Cc1ccsc1
InChIInChI=1S/C14H14BrNOS/c1-16(8-11-6-7-18-10-11)9-14(17)12-4-2-3-5-13(12)15/h2-7,10H,8-9H2,1H3
InChIKeyPKUNRVBPZLTGEB-UHFFFAOYSA-N
MW324.24 g/mol
LogP3.83
Rot. Bonds5

About 1-(2-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone

1-(2-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone (PubChem CID 62052197) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
PubChem CID62052197
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name1-(2-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1ccccc1Br)Cc1ccsc1
InChIInChI=1S/C14H14BrNOS/c1-16(8-11-6-7-18-10-11)9-14(17)12-4-2-3-5-13(12)15/h2-7,10H,8-9H2,1H3
InChIKeyPKUNRVBPZLTGEB-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62053567
1-(2-chlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 55099203
1-(4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62051999
1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one
CID 62053360
1-(3-bromo-4-methoxyphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62051214
1-(2-bromophenyl)-2-[(2-chlorophenyl)methyl-methylamino]ethanone
CID 60650724
1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone
CID 65488762
2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone
CID 10658035
1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol
CID 62622929
4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile
CID 62051809
N-[(2-methylphenyl)methyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 8925841
1-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone
CID 60984093

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone (CID 62052197) is 1-(2-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone is CN(CC(=O)c1ccccc1Br)Cc1ccsc1.
What is the InChIKey of 1-(2-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone?
The InChIKey is PKUNRVBPZLTGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-16(8-11-6-7-18-10-11)9-14(17)12-4-2-3-5-13(12)15/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(2-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone?
1-(2-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone has a molecular weight of 324.24 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone is sourced from PubChem (CID 62052197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).