N-[3-(2-bromoethoxy)propyl]thiophene-3-carboxamide

C10H14BrNO2S — CID 106307182

IUPACN-[3-(2-bromoethoxy)propyl]thiophene-3-carboxamide
SMILESO=C(NCCCOCCBr)c1ccsc1
InChIInChI=1S/C10H14BrNO2S/c11-3-6-14-5-1-4-12-10(13)9-2-7-15-8-9/h2,7-8H,1,3-6H2,(H,12,13)
InChIKeyKOZHIVPWEBOLCV-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.28
Rot. Bonds7

About N-[3-(2-bromoethoxy)propyl]thiophene-3-carboxamide

N-[3-(2-bromoethoxy)propyl]thiophene-3-carboxamide (PubChem CID 106307182) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is N-[3-(2-bromoethoxy)propyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-bromoethoxy)propyl]thiophene-3-carboxamide
PubChem CID106307182
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC NameN-[3-(2-bromoethoxy)propyl]thiophene-3-carboxamide
SMILESO=C(NCCCOCCBr)c1ccsc1
InChIInChI=1S/C10H14BrNO2S/c11-3-6-14-5-1-4-12-10(13)9-2-7-15-8-9/h2,7-8H,1,3-6H2,(H,12,13)
InChIKeyKOZHIVPWEBOLCV-UHFFFAOYSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[3-(2-bromoethoxy)propyl]thiophene-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-bromoethoxy)propyl]-4-hydroxybenzamide
CID 106307533
N-[9-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]nonyl]thiophene-3-carboxamide
CID 171471382
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[3-(2-bromoethoxy)propyl]-4-chlorobenzamide
CID 106307307
N-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide
CID 114171510
N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]thiophene-3-carboxamide
CID 22006893
N-[12-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
CID 171471403
N-(4-hydroxypentyl)thiophene-3-carboxamide
CID 107299586
N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide
CID 106307317
N-[3-(2-bromoethoxy)propyl]-3-chloro-4-fluorobenzamide
CID 114171496
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]thiophene-3-carboxamide
CID 71969648
3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoic acid
CID 119177555

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoethoxy)propyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(2-bromoethoxy)propyl]thiophene-3-carboxamide (CID 106307182) is N-[3-(2-bromoethoxy)propyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(2-bromoethoxy)propyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(2-bromoethoxy)propyl]thiophene-3-carboxamide is O=C(NCCCOCCBr)c1ccsc1.
What is the InChIKey of N-[3-(2-bromoethoxy)propyl]thiophene-3-carboxamide?
The InChIKey is KOZHIVPWEBOLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c11-3-6-14-5-1-4-12-10(13)9-2-7-15-8-9/h2,7-8H,1,3-6H2,(H,12,13).
What are the key properties of N-[3-(2-bromoethoxy)propyl]thiophene-3-carboxamide?
N-[3-(2-bromoethoxy)propyl]thiophene-3-carboxamide has a molecular weight of 292.20 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromoethoxy)propyl]thiophene-3-carboxamide is sourced from PubChem (CID 106307182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).