N-[2-[(5-bromofuran-2-yl)methylamino]ethyl]thiophene-2-carboxamide

C12H13BrN2O2S — CID 99795253

IUPACN-[2-[(5-bromofuran-2-yl)methylamino]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCNCc1ccc(Br)o1)c1cccs1
InChIInChI=1S/C12H13BrN2O2S/c13-11-4-3-9(17-11)8-14-5-6-15-12(16)10-2-1-7-18-10/h1-4,7,14H,5-6,8H2,(H,15,16)
InChIKeyFPFYWAWFEJPAFI-UHFFFAOYSA-N
MW329.22 g/mol
LogP2.62
Rot. Bonds6

About N-[2-[(5-bromofuran-2-yl)methylamino]ethyl]thiophene-2-carboxamide

N-[2-[(5-bromofuran-2-yl)methylamino]ethyl]thiophene-2-carboxamide (PubChem CID 99795253) has the molecular formula C12H13BrN2O2S and a molecular weight of 329.22 g/mol. Its IUPAC name is N-[2-[(5-bromofuran-2-yl)methylamino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-bromofuran-2-yl)methylamino]ethyl]thiophene-2-carboxamide
PubChem CID99795253
Molecular FormulaC12H13BrN2O2S
Molecular Weight329.22 g/mol
Exact Mass327.99
IUPAC NameN-[2-[(5-bromofuran-2-yl)methylamino]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCNCc1ccc(Br)o1)c1cccs1
InChIInChI=1S/C12H13BrN2O2S/c13-11-4-3-9(17-11)8-14-5-6-15-12(16)10-2-1-7-18-10/h1-4,7,14H,5-6,8H2,(H,15,16)
InChIKeyFPFYWAWFEJPAFI-UHFFFAOYSA-N
XLogP2.62
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(benzylamino)ethyl]thiophene-2-carboxamide
CID 47148638
N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]ethyl]thiophene-2-carboxamide
CID 119137508
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide
CID 3156849
N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide
CID 108573968
N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide
CID 108542652
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
N-(2-ethylsulfinylethyl)thiophene-2-carboxamide
CID 115626836
N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide
CID 78985953
N-(2-cyanoethyl)thiophene-2-carboxamide
CID 60656092

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromofuran-2-yl)methylamino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(5-bromofuran-2-yl)methylamino]ethyl]thiophene-2-carboxamide (CID 99795253) is N-[2-[(5-bromofuran-2-yl)methylamino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(5-bromofuran-2-yl)methylamino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(5-bromofuran-2-yl)methylamino]ethyl]thiophene-2-carboxamide is O=C(NCCNCc1ccc(Br)o1)c1cccs1.
What is the InChIKey of N-[2-[(5-bromofuran-2-yl)methylamino]ethyl]thiophene-2-carboxamide?
The InChIKey is FPFYWAWFEJPAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S/c13-11-4-3-9(17-11)8-14-5-6-15-12(16)10-2-1-7-18-10/h1-4,7,14H,5-6,8H2,(H,15,16).
What are the key properties of N-[2-[(5-bromofuran-2-yl)methylamino]ethyl]thiophene-2-carboxamide?
N-[2-[(5-bromofuran-2-yl)methylamino]ethyl]thiophene-2-carboxamide has a molecular weight of 329.22 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromofuran-2-yl)methylamino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 99795253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).