N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

C17H17BrN2O3S — CID 9092219

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)CN1CCSC1=O
InChIInChI=1S/C17H17BrN2O3S/c1-19(16(21)11-20-8-9-24-17(20)22)10-14-6-7-15(23-14)12-2-4-13(18)5-3-12/h2-7H,8-11H2,1H3
InChIKeyKMCWXHAFRYTREL-UHFFFAOYSA-N
MW409.31 g/mol
LogP3.84
Rot. Bonds5

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 9092219) has the molecular formula C17H17BrN2O3S and a molecular weight of 409.31 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID9092219
Molecular FormulaC17H17BrN2O3S
Molecular Weight409.31 g/mol
Exact Mass408.01
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)CN1CCSC1=O
InChIInChI=1S/C17H17BrN2O3S/c1-19(16(21)11-20-8-9-24-17(20)22)10-14-6-7-15(23-14)12-2-4-13(18)5-3-12/h2-7H,8-11H2,1H3
InChIKeyKMCWXHAFRYTREL-UHFFFAOYSA-N
XLogP3.84
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (CID 9092219) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)CN1CCSC1=O.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is KMCWXHAFRYTREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3S/c1-19(16(21)11-20-8-9-24-17(20)22)10-14-6-7-15(23-14)12-2-4-13(18)5-3-12/h2-7H,8-11H2,1H3.
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 409.31 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 9092219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).