1-(3-bromothiophen-2-yl)-2-[ethyl(pyridin-4-ylmethyl)amino]ethanone

C14H15BrN2OS — CID 62052106

IUPAC1-(3-bromothiophen-2-yl)-2-[ethyl(pyridin-4-ylmethyl)amino]ethanone
SMILESCCN(CC(=O)c1sccc1Br)Cc1ccncc1
InChIInChI=1S/C14H15BrN2OS/c1-2-17(9-11-3-6-16-7-4-11)10-13(18)14-12(15)5-8-19-14/h3-8H,2,9-10H2,1H3
InChIKeyDMYBWRDERLPGEY-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.61
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-2-[ethyl(pyridin-4-ylmethyl)amino]ethanone

1-(3-bromothiophen-2-yl)-2-[ethyl(pyridin-4-ylmethyl)amino]ethanone (PubChem CID 62052106) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-[ethyl(pyridin-4-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-[ethyl(pyridin-4-ylmethyl)amino]ethanone
PubChem CID62052106
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name1-(3-bromothiophen-2-yl)-2-[ethyl(pyridin-4-ylmethyl)amino]ethanone
SMILESCCN(CC(=O)c1sccc1Br)Cc1ccncc1
InChIInChI=1S/C14H15BrN2OS/c1-2-17(9-11-3-6-16-7-4-11)10-13(18)14-12(15)5-8-19-14/h3-8H,2,9-10H2,1H3
InChIKeyDMYBWRDERLPGEY-UHFFFAOYSA-N
XLogP3.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 62052112
2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 62052291
3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 60777644
1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one
CID 107507295
2-[ethyl(pyridin-4-ylmethyl)amino]acetohydrazide
CID 63584522
propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate
CID 54940295
1-(3-bromothiophen-2-yl)-2-propylsulfinylethanone
CID 64638480
1-[2-[ethyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-one
CID 60684459
N-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide
CID 54948657
1-(3-bromothiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
CID 54999884
1-(3-bromothiophen-2-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43794167
1-(3-bromothiophen-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 62050577

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-[ethyl(pyridin-4-ylmethyl)amino]ethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-[ethyl(pyridin-4-ylmethyl)amino]ethanone (CID 62052106) is 1-(3-bromothiophen-2-yl)-2-[ethyl(pyridin-4-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-[ethyl(pyridin-4-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-[ethyl(pyridin-4-ylmethyl)amino]ethanone is CCN(CC(=O)c1sccc1Br)Cc1ccncc1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-[ethyl(pyridin-4-ylmethyl)amino]ethanone?
The InChIKey is DMYBWRDERLPGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-2-17(9-11-3-6-16-7-4-11)10-13(18)14-12(15)5-8-19-14/h3-8H,2,9-10H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-[ethyl(pyridin-4-ylmethyl)amino]ethanone?
1-(3-bromothiophen-2-yl)-2-[ethyl(pyridin-4-ylmethyl)amino]ethanone has a molecular weight of 339.26 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-[ethyl(pyridin-4-ylmethyl)amino]ethanone is sourced from PubChem (CID 62052106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).