N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-3-carboxamide

C14H12BrNO2S — CID 104702853

IUPACN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-3-carboxamide
SMILESO=C(NCc1cc(Br)cc2c1OCC2)c1ccsc1
InChIInChI=1S/C14H12BrNO2S/c15-12-5-9-1-3-18-13(9)11(6-12)7-16-14(17)10-2-4-19-8-10/h2,4-6,8H,1,3,7H2,(H,16,17)
InChIKeyATJHZBQQCIEDOQ-UHFFFAOYSA-N
MW338.23 g/mol
LogP3.38
Rot. Bonds3

About N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-3-carboxamide

N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-3-carboxamide (PubChem CID 104702853) has the molecular formula C14H12BrNO2S and a molecular weight of 338.23 g/mol. Its IUPAC name is N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-3-carboxamide
PubChem CID104702853
Molecular FormulaC14H12BrNO2S
Molecular Weight338.23 g/mol
Exact Mass336.98
IUPAC NameN-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-3-carboxamide
SMILESO=C(NCc1cc(Br)cc2c1OCC2)c1ccsc1
InChIInChI=1S/C14H12BrNO2S/c15-12-5-9-1-3-18-13(9)11(6-12)7-16-14(17)10-2-4-19-8-10/h2,4-6,8H,1,3,7H2,(H,16,17)
InChIKeyATJHZBQQCIEDOQ-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]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-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-hydroxybenzamide
CID 104702882
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-fluorobenzamide
CID 104702761
3-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-2-carboxamide
CID 104701971
6-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyridine-3-carboxamide
CID 104703479
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrazine-2-carboxamide
CID 104773207
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-5-chloropyridine-2-carboxamide
CID 104702838
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104702888
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-chloropyridine-4-carboxamide
CID 104702780
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylpyridine-3-carboxamide
CID 104702776
2-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 104702554
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-pyridin-2-ylacetamide
CID 104702827
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-(methylamino)propanamide
CID 113443019

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-3-carboxamide (CID 104702853) is N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-3-carboxamide is O=C(NCc1cc(Br)cc2c1OCC2)c1ccsc1.
What is the InChIKey of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-3-carboxamide?
The InChIKey is ATJHZBQQCIEDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2S/c15-12-5-9-1-3-18-13(9)11(6-12)7-16-14(17)10-2-4-19-8-10/h2,4-6,8H,1,3,7H2,(H,16,17).
What are the key properties of N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-3-carboxamide?
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-3-carboxamide has a molecular weight of 338.23 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 104702853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).