3-[(5-bromothiophen-3-yl)methylamino]-N-ethylbenzamide

C14H15BrN2OS — CID 43680774

IUPAC3-[(5-bromothiophen-3-yl)methylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NCc2csc(Br)c2)c1
InChIInChI=1S/C14H15BrN2OS/c1-2-16-14(18)11-4-3-5-12(7-11)17-8-10-6-13(15)19-9-10/h3-7,9,17H,2,8H2,1H3,(H,16,18)
InChIKeyWZBMJOVIWHKCEZ-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.87
Rot. Bonds5

About 3-[(5-bromothiophen-3-yl)methylamino]-N-ethylbenzamide

3-[(5-bromothiophen-3-yl)methylamino]-N-ethylbenzamide (PubChem CID 43680774) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 3-[(5-bromothiophen-3-yl)methylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[(5-bromothiophen-3-yl)methylamino]-N-ethylbenzamide
PubChem CID43680774
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name3-[(5-bromothiophen-3-yl)methylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NCc2csc(Br)c2)c1
InChIInChI=1S/C14H15BrN2OS/c1-2-16-14(18)11-4-3-5-12(7-11)17-8-10-6-13(15)19-9-10/h3-7,9,17H,2,8H2,1H3,(H,16,18)
InChIKeyWZBMJOVIWHKCEZ-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

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3-[(3-chloro-4-methylphenyl)methylamino]-N-ethylbenzamide
CID 106816302
3-[(4-bromo-2-fluorophenyl)methylamino]-N-ethylbenzamide
CID 43231490
N-[(5-bromothiophen-3-yl)methyl]-3-methylsulfonylaniline
CID 54861542
N-[(5-bromothiophen-3-yl)methyl]-3-(diethylaminomethyl)aniline
CID 43727058
N-ethyl-3-(prop-2-ynylamino)benzamide
CID 60681699
N-[(5-bromothiophen-3-yl)methyl]-3-(methoxymethyl)aniline
CID 43672271
3-[1-(4-bromothiophen-2-yl)ethylamino]-N-ethylbenzamide
CID 107167773
3-acetamido-N-ethylbenzamide
CID 17230670
N-ethyl-3-(2-methylpentylamino)benzamide
CID 43680679

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-3-yl)methylamino]-N-ethylbenzamide?
The IUPAC name of 3-[(5-bromothiophen-3-yl)methylamino]-N-ethylbenzamide (CID 43680774) is 3-[(5-bromothiophen-3-yl)methylamino]-N-ethylbenzamide.
What is the SMILES notation for 3-[(5-bromothiophen-3-yl)methylamino]-N-ethylbenzamide?
The canonical SMILES for 3-[(5-bromothiophen-3-yl)methylamino]-N-ethylbenzamide is CCNC(=O)c1cccc(NCc2csc(Br)c2)c1.
What is the InChIKey of 3-[(5-bromothiophen-3-yl)methylamino]-N-ethylbenzamide?
The InChIKey is WZBMJOVIWHKCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-2-16-14(18)11-4-3-5-12(7-11)17-8-10-6-13(15)19-9-10/h3-7,9,17H,2,8H2,1H3,(H,16,18).
What are the key properties of 3-[(5-bromothiophen-3-yl)methylamino]-N-ethylbenzamide?
3-[(5-bromothiophen-3-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 3-[(5-bromothiophen-3-yl)methylamino]-N-ethylbenzamide is sourced from PubChem (CID 43680774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).