5-bromo-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide

C18H15BrN2O4S2 — CID 16930629

IUPAC5-bromo-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)CC2)c1ccc(Br)o1
InChIInChI=1S/C18H15BrN2O4S2/c19-16-6-5-15(25-16)18(22)20-14-4-3-12-7-8-21(11-13(12)10-14)27(23,24)17-2-1-9-26-17/h1-6,9-10H,7-8,11H2,(H,20,22)
InChIKeyZTLPNRXJVMVBKE-UHFFFAOYSA-N
MW467.37 g/mol
LogP4.10
Rot. Bonds4

About 5-bromo-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide

5-bromo-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide (PubChem CID 16930629) has the molecular formula C18H15BrN2O4S2 and a molecular weight of 467.37 g/mol. Its IUPAC name is 5-bromo-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide
PubChem CID16930629
Molecular FormulaC18H15BrN2O4S2
Molecular Weight467.37 g/mol
Exact Mass465.97
IUPAC Name5-bromo-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)CC2)c1ccc(Br)o1
InChIInChI=1S/C18H15BrN2O4S2/c19-16-6-5-15(25-16)18(22)20-14-4-3-12-7-8-21(11-13(12)10-14)27(23,24)17-2-1-9-26-17/h1-6,9-10H,7-8,11H2,(H,20,22)
InChIKeyZTLPNRXJVMVBKE-UHFFFAOYSA-N
XLogP4.10
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-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-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide
CID 16930619
4-bromo-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16930632
4-tert-butyl-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16930664
3,4-dimethyl-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16930637
3-chloro-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16930636
N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)naphthalene-1-carboxamide
CID 16930651
3,3-dimethyl-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)butanamide
CID 16930643
2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 68580086
2-ethoxy-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)naphthalene-1-carboxamide
CID 16930590
2-(2-chlorophenoxy)-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
CID 16930686
2-(4-tert-butylphenoxy)-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
CID 16930653
2,4-dimethoxy-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide
CID 16926395

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide (CID 16930629) is 5-bromo-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide is O=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)CC2)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide?
The InChIKey is ZTLPNRXJVMVBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O4S2/c19-16-6-5-15(25-16)18(22)20-14-4-3-12-7-8-21(11-13(12)10-14)27(23,24)17-2-1-9-26-17/h1-6,9-10H,7-8,11H2,(H,20,22).
What are the key properties of 5-bromo-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide?
5-bromo-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide has a molecular weight of 467.37 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide is sourced from PubChem (CID 16930629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).