N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-2-phenylthieno[3,2-b]furan-6-carboxamide

C21H15ClFNO2S — CID 50831579

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-2-phenylthieno[3,2-b]furan-6-carboxamide
SMILESCc1sc2cc(-c3ccccc3)oc2c1C(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C21H15ClFNO2S/c1-12-19(21(25)24-11-14-7-8-15(23)9-16(14)22)20-18(27-12)10-17(26-20)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,24,25)
InChIKeyWUNSYFFLIRQXQQ-UHFFFAOYSA-N
MW399.87 g/mol
LogP6.19
Rot. Bonds4

About N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-2-phenylthieno[3,2-b]furan-6-carboxamide

N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-2-phenylthieno[3,2-b]furan-6-carboxamide (PubChem CID 50831579) has the molecular formula C21H15ClFNO2S and a molecular weight of 399.87 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-2-phenylthieno[3,2-b]furan-6-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-2-phenylthieno[3,2-b]furan-6-carboxamide
PubChem CID50831579
Molecular FormulaC21H15ClFNO2S
Molecular Weight399.87 g/mol
Exact Mass399.05
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-2-phenylthieno[3,2-b]furan-6-carboxamide
SMILESCc1sc2cc(-c3ccccc3)oc2c1C(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C21H15ClFNO2S/c1-12-19(21(25)24-11-14-7-8-15(23)9-16(14)22)20-18(27-12)10-17(26-20)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,24,25)
InChIKeyWUNSYFFLIRQXQQ-UHFFFAOYSA-N
XLogP6.19
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.87
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-2-phenylthieno[3,2-b]furan-6-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-2-phenylthieno[3,2-b]furan-6-carboxamide (CID 50831579) is N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-2-phenylthieno[3,2-b]furan-6-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-2-phenylthieno[3,2-b]furan-6-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-2-phenylthieno[3,2-b]furan-6-carboxamide is Cc1sc2cc(-c3ccccc3)oc2c1C(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-2-phenylthieno[3,2-b]furan-6-carboxamide?
The InChIKey is WUNSYFFLIRQXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFNO2S/c1-12-19(21(25)24-11-14-7-8-15(23)9-16(14)22)20-18(27-12)10-17(26-20)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,24,25).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-2-phenylthieno[3,2-b]furan-6-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-2-phenylthieno[3,2-b]furan-6-carboxamide has a molecular weight of 399.87 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-2-phenylthieno[3,2-b]furan-6-carboxamide is sourced from PubChem (CID 50831579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).