4-[(5-bromothiophen-2-yl)methylamino]-N-ethylbenzamide

C14H15BrN2OS — CID 43728545

IUPAC4-[(5-bromothiophen-2-yl)methylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NCc2ccc(Br)s2)cc1
InChIInChI=1S/C14H15BrN2OS/c1-2-16-14(18)10-3-5-11(6-4-10)17-9-12-7-8-13(15)19-12/h3-8,17H,2,9H2,1H3,(H,16,18)
InChIKeySMLKGBFZGRANDQ-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.87
Rot. Bonds5

About 4-[(5-bromothiophen-2-yl)methylamino]-N-ethylbenzamide

4-[(5-bromothiophen-2-yl)methylamino]-N-ethylbenzamide (PubChem CID 43728545) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 4-[(5-bromothiophen-2-yl)methylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[(5-bromothiophen-2-yl)methylamino]-N-ethylbenzamide
PubChem CID43728545
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name4-[(5-bromothiophen-2-yl)methylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NCc2ccc(Br)s2)cc1
InChIInChI=1S/C14H15BrN2OS/c1-2-16-14(18)10-3-5-11(6-4-10)17-9-12-7-8-13(15)19-12/h3-8,17H,2,9H2,1H3,(H,16,18)
InChIKeySMLKGBFZGRANDQ-UHFFFAOYSA-N
XLogP3.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromothiophen-2-yl)methylamino]-N-prop-2-enylbenzamide
CID 60931989
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(ethylamino)benzamide
CID 106050450
N-[(5-bromothiophen-2-yl)methyl]-4-ethylsulfonylaniline
CID 43689671
N-ethyl-4-[(2-ethylphenyl)methylamino]benzamide
CID 62391591
ethane;N-ethyl-4-(ethylamino)benzamide;molecular hydrogen
CID 155715091
4-[(2-bromo-4-fluorophenyl)methylamino]-N-ethylbenzamide
CID 107095670
N-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 32776912
3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43725444
1-[2-amino-5-[(5-bromothiophen-2-yl)methylamino]phenyl]ethanone
CID 113433041
N-ethyl-4-[[[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111956581
5-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carboxylic acid
CID 115490955
N-ethyl-4-[(4-methoxyphenyl)methylamino]benzamide
CID 43728493

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromothiophen-2-yl)methylamino]-N-ethylbenzamide?
The IUPAC name of 4-[(5-bromothiophen-2-yl)methylamino]-N-ethylbenzamide (CID 43728545) is 4-[(5-bromothiophen-2-yl)methylamino]-N-ethylbenzamide.
What is the SMILES notation for 4-[(5-bromothiophen-2-yl)methylamino]-N-ethylbenzamide?
The canonical SMILES for 4-[(5-bromothiophen-2-yl)methylamino]-N-ethylbenzamide is CCNC(=O)c1ccc(NCc2ccc(Br)s2)cc1.
What is the InChIKey of 4-[(5-bromothiophen-2-yl)methylamino]-N-ethylbenzamide?
The InChIKey is SMLKGBFZGRANDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-2-16-14(18)10-3-5-11(6-4-10)17-9-12-7-8-13(15)19-12/h3-8,17H,2,9H2,1H3,(H,16,18).
What are the key properties of 4-[(5-bromothiophen-2-yl)methylamino]-N-ethylbenzamide?
4-[(5-bromothiophen-2-yl)methylamino]-N-ethylbenzamide has a molecular weight of 339.26 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromothiophen-2-yl)methylamino]-N-ethylbenzamide is sourced from PubChem (CID 43728545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).