2-[[2-(2,4-dibromophenoxy)acetyl]amino]thiophene-3-carboxamide

C13H10Br2N2O3S — CID 2475511

IUPAC2-[[2-(2,4-dibromophenoxy)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C13H10Br2N2O3S/c14-7-1-2-10(9(15)5-7)20-6-11(18)17-13-8(12(16)19)3-4-21-13/h1-5H,6H2,(H2,16,19)(H,17,18)
InChIKeyGLLBNOCENNRYSJ-UHFFFAOYSA-N
MW434.11 g/mol
LogP3.39
Rot. Bonds5

About 2-[[2-(2,4-dibromophenoxy)acetyl]amino]thiophene-3-carboxamide

2-[[2-(2,4-dibromophenoxy)acetyl]amino]thiophene-3-carboxamide (PubChem CID 2475511) has the molecular formula C13H10Br2N2O3S and a molecular weight of 434.11 g/mol. Its IUPAC name is 2-[[2-(2,4-dibromophenoxy)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(2,4-dibromophenoxy)acetyl]amino]thiophene-3-carboxamide
PubChem CID2475511
Molecular FormulaC13H10Br2N2O3S
Molecular Weight434.11 g/mol
Exact Mass431.88
IUPAC Name2-[[2-(2,4-dibromophenoxy)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C13H10Br2N2O3S/c14-7-1-2-10(9(15)5-7)20-6-11(18)17-13-8(12(16)19)3-4-21-13/h1-5H,6H2,(H2,16,19)(H,17,18)
InChIKeyGLLBNOCENNRYSJ-UHFFFAOYSA-N
XLogP3.39
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.11
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 16524597
2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 43357394
2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide
CID 3674249
2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide
CID 1246150
2-(2,4-dibromophenoxy)-N-methoxyacetamide
CID 33099382
N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide
CID 64720408
2-(2,4-dibromophenoxy)-N-(3-hydroxyphenyl)acetamide
CID 981216
benzyl N-[[2-(2,4-dibromophenoxy)acetyl]amino]carbamate
CID 4935845
2-[[2-(4-acetylphenoxy)acetyl]amino]thiophene-3-carboxamide
CID 2126171
2-[[2-(2,4-dibromophenoxy)acetyl]amino]oxyacetic acid
CID 60668042
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
2-[[2-(3-bromophenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 43171472

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dibromophenoxy)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(2,4-dibromophenoxy)acetyl]amino]thiophene-3-carboxamide (CID 2475511) is 2-[[2-(2,4-dibromophenoxy)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(2,4-dibromophenoxy)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(2,4-dibromophenoxy)acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)COc1ccc(Br)cc1Br.
What is the InChIKey of 2-[[2-(2,4-dibromophenoxy)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is GLLBNOCENNRYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O3S/c14-7-1-2-10(9(15)5-7)20-6-11(18)17-13-8(12(16)19)3-4-21-13/h1-5H,6H2,(H2,16,19)(H,17,18).
What are the key properties of 2-[[2-(2,4-dibromophenoxy)acetyl]amino]thiophene-3-carboxamide?
2-[[2-(2,4-dibromophenoxy)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 434.11 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dibromophenoxy)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 2475511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).