N-(2-amino-4-ethoxycyclobutyl)-3-bromothiophene-2-carboxamide

C11H15BrN2O2S — CID 66196255

IUPACN-(2-amino-4-ethoxycyclobutyl)-3-bromothiophene-2-carboxamide
SMILESCCOC1CC(N)C1NC(=O)c1sccc1Br
InChIInChI=1S/C11H15BrN2O2S/c1-2-16-8-5-7(13)9(8)14-11(15)10-6(12)3-4-17-10/h3-4,7-9H,2,5,13H2,1H3,(H,14,15)
InChIKeyVVXKWPTXFXWYNC-UHFFFAOYSA-N
MW319.22 g/mol
LogP1.75
Rot. Bonds4

About N-(2-amino-4-ethoxycyclobutyl)-3-bromothiophene-2-carboxamide

N-(2-amino-4-ethoxycyclobutyl)-3-bromothiophene-2-carboxamide (PubChem CID 66196255) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)-3-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)-3-bromothiophene-2-carboxamide
PubChem CID66196255
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)-3-bromothiophene-2-carboxamide
SMILESCCOC1CC(N)C1NC(=O)c1sccc1Br
InChIInChI=1S/C11H15BrN2O2S/c1-2-16-8-5-7(13)9(8)14-11(15)10-6(12)3-4-17-10/h3-4,7-9H,2,5,13H2,1H3,(H,14,15)
InChIKeyVVXKWPTXFXWYNC-UHFFFAOYSA-N
XLogP1.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-4-ethoxycyclobutyl)-3-bromothiophene-2-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-(2-amino-4-ethoxycyclobutyl)-5-methylthiophene-2-carboxamide
CID 66195121
N-(2-amino-4-ethoxycyclobutyl)-2-methylsulfanylbenzamide
CID 79217631
N-(2-amino-4-ethoxycyclobutyl)-2,5-difluorobenzamide
CID 66197031
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-4-nitrobenzamide
CID 66197224
N-(2-amino-4-ethoxycyclobutyl)-2-(4-chlorophenoxy)acetamide
CID 66195499
N-(2-amino-4-ethoxycyclobutyl)cyclooctanecarboxamide
CID 66194926
N-(2-amino-4-ethoxycyclobutyl)-3-ethoxypropanamide
CID 66197212
3-[(3-bromothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63802421
N-(2-amino-4-ethoxycyclobutyl)-2-methylthiolane-2-carboxamide
CID 81451090
N-(2-amino-4-ethoxycyclobutyl)-2-propoxyacetamide
CID 107940046
N'-acetyl-3-bromothiophene-2-carbohydrazide
CID 47355220

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-3-bromothiophene-2-carboxamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-3-bromothiophene-2-carboxamide (CID 66196255) is N-(2-amino-4-ethoxycyclobutyl)-3-bromothiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)-3-bromothiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)-3-bromothiophene-2-carboxamide is CCOC1CC(N)C1NC(=O)c1sccc1Br.
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)-3-bromothiophene-2-carboxamide?
The InChIKey is VVXKWPTXFXWYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-2-16-8-5-7(13)9(8)14-11(15)10-6(12)3-4-17-10/h3-4,7-9H,2,5,13H2,1H3,(H,14,15).
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)-3-bromothiophene-2-carboxamide?
N-(2-amino-4-ethoxycyclobutyl)-3-bromothiophene-2-carboxamide has a molecular weight of 319.22 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxycyclobutyl)-3-bromothiophene-2-carboxamide is sourced from PubChem (CID 66196255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).