N-[3-(2-aminoethoxy)phenyl]-2,5-dibromothiophene-3-carboxamide

C13H12Br2N2O2S — CID 103806452

IUPACN-[3-(2-aminoethoxy)phenyl]-2,5-dibromothiophene-3-carboxamide
SMILESNCCOc1cccc(NC(=O)c2cc(Br)sc2Br)c1
InChIInChI=1S/C13H12Br2N2O2S/c14-11-7-10(12(15)20-11)13(18)17-8-2-1-3-9(6-8)19-5-4-16/h1-3,6-7H,4-5,16H2,(H,17,18)
InChIKeyBESXPNZXNOXDTE-UHFFFAOYSA-N
MW420.13 g/mol
LogP3.86
Rot. Bonds5

About N-[3-(2-aminoethoxy)phenyl]-2,5-dibromothiophene-3-carboxamide

N-[3-(2-aminoethoxy)phenyl]-2,5-dibromothiophene-3-carboxamide (PubChem CID 103806452) has the molecular formula C13H12Br2N2O2S and a molecular weight of 420.13 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-2,5-dibromothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-2,5-dibromothiophene-3-carboxamide
PubChem CID103806452
Molecular FormulaC13H12Br2N2O2S
Molecular Weight420.13 g/mol
Exact Mass417.90
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-2,5-dibromothiophene-3-carboxamide
SMILESNCCOc1cccc(NC(=O)c2cc(Br)sc2Br)c1
InChIInChI=1S/C13H12Br2N2O2S/c14-11-7-10(12(15)20-11)13(18)17-8-2-1-3-9(6-8)19-5-4-16/h1-3,6-7H,4-5,16H2,(H,17,18)
InChIKeyBESXPNZXNOXDTE-UHFFFAOYSA-N
XLogP3.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.13
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(2-aminoethoxy)phenyl]-2,5-dibromothiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-aminoethoxy)phenyl]-2-bromo-4-chlorobenzamide
CID 103806449
N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide
CID 63121176
N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide
CID 81481242
N-[3-(2-aminoethoxy)phenyl]-3-bromopyridine-2-carboxamide
CID 107519972
N-[3-(2-aminoethoxy)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 43175539
N-[3-(2-aminoethoxy)phenyl]-4-iodobenzamide
CID 63121269
N-[3-(2-aminoethoxy)phenyl]-3-methoxypyridine-4-carboxamide
CID 105062895
1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea
CID 63121094
2,5-dibromo-N-[3-(3-bromopropyl)phenyl]thiophene-3-carboxamide
CID 107966238
N-[3-(2-aminoethoxy)phenyl]-4-ethylbenzamide
CID 43369477
3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
CID 79154063
N-[3-(2-aminoethoxy)phenyl]pyridazine-4-carboxamide
CID 104668880

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-2,5-dibromothiophene-3-carboxamide?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-2,5-dibromothiophene-3-carboxamide (CID 103806452) is N-[3-(2-aminoethoxy)phenyl]-2,5-dibromothiophene-3-carboxamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-2,5-dibromothiophene-3-carboxamide?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-2,5-dibromothiophene-3-carboxamide is NCCOc1cccc(NC(=O)c2cc(Br)sc2Br)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-2,5-dibromothiophene-3-carboxamide?
The InChIKey is BESXPNZXNOXDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O2S/c14-11-7-10(12(15)20-11)13(18)17-8-2-1-3-9(6-8)19-5-4-16/h1-3,6-7H,4-5,16H2,(H,17,18).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-2,5-dibromothiophene-3-carboxamide?
N-[3-(2-aminoethoxy)phenyl]-2,5-dibromothiophene-3-carboxamide has a molecular weight of 420.13 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-2,5-dibromothiophene-3-carboxamide is sourced from PubChem (CID 103806452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).