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

C15H17BrN2OS — CID 107167773

IUPAC3-[1-(4-bromothiophen-2-yl)ethylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(C)c2cc(Br)cs2)c1
InChIInChI=1S/C15H17BrN2OS/c1-3-17-15(19)11-5-4-6-13(7-11)18-10(2)14-8-12(16)9-20-14/h4-10,18H,3H2,1-2H3,(H,17,19)
InChIKeyABKAAGKOTLHZNW-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.43
Rot. Bonds5

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

3-[1-(4-bromothiophen-2-yl)ethylamino]-N-ethylbenzamide (PubChem CID 107167773) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is 3-[1-(4-bromothiophen-2-yl)ethylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[1-(4-bromothiophen-2-yl)ethylamino]-N-ethylbenzamide
PubChem CID107167773
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC Name3-[1-(4-bromothiophen-2-yl)ethylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(C)c2cc(Br)cs2)c1
InChIInChI=1S/C15H17BrN2OS/c1-3-17-15(19)11-5-4-6-13(7-11)18-10(2)14-8-12(16)9-20-14/h4-10,18H,3H2,1-2H3,(H,17,19)
InChIKeyABKAAGKOTLHZNW-UHFFFAOYSA-N
XLogP4.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-bromothiophen-2-yl)ethylamino]-N-methylbenzamide
CID 107167774
N-ethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzamide
CID 43680749
N-ethyl-3-(1-thiophen-3-ylethylamino)benzamide
CID 55032381
N-ethyl-3-[1-(3-hydroxyphenyl)ethylamino]benzamide
CID 43680770
N-ethyl-3-(2-methylpropylamino)benzamide
CID 43680721
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-ethylbenzamide
CID 63751777
3-[(5-bromothiophen-3-yl)methylamino]-N-ethylbenzamide
CID 43680774
N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47200674
N-methyl-3-(1-thiophen-2-ylethylamino)benzamide
CID 43202793
3-acetamido-N-ethylbenzamide
CID 17230670
ethyl N-[4-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]carbamate
CID 107167756
propan-2-yl 4-[1-(4-bromothiophen-2-yl)ethylamino]benzoate
CID 107354022

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromothiophen-2-yl)ethylamino]-N-ethylbenzamide?
The IUPAC name of 3-[1-(4-bromothiophen-2-yl)ethylamino]-N-ethylbenzamide (CID 107167773) is 3-[1-(4-bromothiophen-2-yl)ethylamino]-N-ethylbenzamide.
What is the SMILES notation for 3-[1-(4-bromothiophen-2-yl)ethylamino]-N-ethylbenzamide?
The canonical SMILES for 3-[1-(4-bromothiophen-2-yl)ethylamino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(C)c2cc(Br)cs2)c1.
What is the InChIKey of 3-[1-(4-bromothiophen-2-yl)ethylamino]-N-ethylbenzamide?
The InChIKey is ABKAAGKOTLHZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-3-17-15(19)11-5-4-6-13(7-11)18-10(2)14-8-12(16)9-20-14/h4-10,18H,3H2,1-2H3,(H,17,19).
What are the key properties of 3-[1-(4-bromothiophen-2-yl)ethylamino]-N-ethylbenzamide?
3-[1-(4-bromothiophen-2-yl)ethylamino]-N-ethylbenzamide has a molecular weight of 353.29 g/mol, XLogP of 4.43, 5 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-ethylbenzamide is sourced from PubChem (CID 107167773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).