3-[1-(4-bromothiophen-2-yl)ethylamino]-N-methylbenzamide

C14H15BrN2OS — CID 107167774

IUPAC3-[1-(4-bromothiophen-2-yl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(C)c2cc(Br)cs2)c1
InChIInChI=1S/C14H15BrN2OS/c1-9(13-7-11(15)8-19-13)17-12-5-3-4-10(6-12)14(18)16-2/h3-9,17H,1-2H3,(H,16,18)
InChIKeyZBGUQIHAAJHWOP-UHFFFAOYSA-N
MW339.26 g/mol
LogP4.04
Rot. Bonds4

About 3-[1-(4-bromothiophen-2-yl)ethylamino]-N-methylbenzamide

3-[1-(4-bromothiophen-2-yl)ethylamino]-N-methylbenzamide (PubChem CID 107167774) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 3-[1-(4-bromothiophen-2-yl)ethylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[1-(4-bromothiophen-2-yl)ethylamino]-N-methylbenzamide
PubChem CID107167774
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name3-[1-(4-bromothiophen-2-yl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(C)c2cc(Br)cs2)c1
InChIInChI=1S/C14H15BrN2OS/c1-9(13-7-11(15)8-19-13)17-12-5-3-4-10(6-12)14(18)16-2/h3-9,17H,1-2H3,(H,16,18)
InChIKeyZBGUQIHAAJHWOP-UHFFFAOYSA-N
XLogP4.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-bromothiophen-2-yl)ethylamino]-N-ethylbenzamide
CID 107167773
N-methyl-3-(1-thiophen-2-ylethylamino)benzamide
CID 43202793
3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide
CID 43202783
3-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 43767555
4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N-methylbenzamide
CID 107167245
3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide
CID 43181477
propan-2-yl 4-[1-(4-bromothiophen-2-yl)ethylamino]benzoate
CID 107354022
3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide
CID 43100379
5-[1-(4-bromothiophen-2-yl)ethylamino]-2-chlorobenzamide
CID 107354091
N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide
CID 43767557
N-methyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 47155570
3-(2-chloropropanoylamino)-N-methylbenzamide
CID 43244627

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromothiophen-2-yl)ethylamino]-N-methylbenzamide?
The IUPAC name of 3-[1-(4-bromothiophen-2-yl)ethylamino]-N-methylbenzamide (CID 107167774) is 3-[1-(4-bromothiophen-2-yl)ethylamino]-N-methylbenzamide.
What is the SMILES notation for 3-[1-(4-bromothiophen-2-yl)ethylamino]-N-methylbenzamide?
The canonical SMILES for 3-[1-(4-bromothiophen-2-yl)ethylamino]-N-methylbenzamide is CNC(=O)c1cccc(NC(C)c2cc(Br)cs2)c1.
What is the InChIKey of 3-[1-(4-bromothiophen-2-yl)ethylamino]-N-methylbenzamide?
The InChIKey is ZBGUQIHAAJHWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-9(13-7-11(15)8-19-13)17-12-5-3-4-10(6-12)14(18)16-2/h3-9,17H,1-2H3,(H,16,18).
What are the key properties of 3-[1-(4-bromothiophen-2-yl)ethylamino]-N-methylbenzamide?
3-[1-(4-bromothiophen-2-yl)ethylamino]-N-methylbenzamide has a molecular weight of 339.26 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromothiophen-2-yl)ethylamino]-N-methylbenzamide is sourced from PubChem (CID 107167774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).