5-methyl-2-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]furan-6-carboxamide

C22H19NO2S — CID 92896477

IUPAC5-methyl-2-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]furan-6-carboxamide
SMILESCc1sc2cc(-c3ccccc3)oc2c1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C22H19NO2S/c1-14(16-9-5-3-6-10-16)23-22(24)20-15(2)26-19-13-18(25-21(19)20)17-11-7-4-8-12-17/h3-14H,1-2H3,(H,23,24)/t14-/m1/s1
InChIKeyDSGCSMWRWOZPNG-CQSZACIVSA-N
MW361.47 g/mol
LogP5.96
Rot. Bonds4

About 5-methyl-2-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]furan-6-carboxamide

5-methyl-2-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]furan-6-carboxamide (PubChem CID 92896477) has the molecular formula C22H19NO2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 5-methyl-2-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]furan-6-carboxamide.

Molecular Properties

Compound Name5-methyl-2-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]furan-6-carboxamide
PubChem CID92896477
Molecular FormulaC22H19NO2S
Molecular Weight361.47 g/mol
Exact Mass361.11
IUPAC Name5-methyl-2-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]furan-6-carboxamide
SMILESCc1sc2cc(-c3ccccc3)oc2c1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C22H19NO2S/c1-14(16-9-5-3-6-10-16)23-22(24)20-15(2)26-19-13-18(25-21(19)20)17-11-7-4-8-12-17/h3-14H,1-2H3,(H,23,24)/t14-/m1/s1
InChIKeyDSGCSMWRWOZPNG-CQSZACIVSA-N
XLogP5.96
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]furan-6-carboxamide?
The IUPAC name of 5-methyl-2-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]furan-6-carboxamide (CID 92896477) is 5-methyl-2-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]furan-6-carboxamide.
What is the SMILES notation for 5-methyl-2-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]furan-6-carboxamide?
The canonical SMILES for 5-methyl-2-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]furan-6-carboxamide is Cc1sc2cc(-c3ccccc3)oc2c1C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 5-methyl-2-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]furan-6-carboxamide?
The InChIKey is DSGCSMWRWOZPNG-CQSZACIVSA-N. The full InChI is InChI=1S/C22H19NO2S/c1-14(16-9-5-3-6-10-16)23-22(24)20-15(2)26-19-13-18(25-21(19)20)17-11-7-4-8-12-17/h3-14H,1-2H3,(H,23,24)/t14-/m1/s1.
What are the key properties of 5-methyl-2-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]furan-6-carboxamide?
5-methyl-2-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]furan-6-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]furan-6-carboxamide is sourced from PubChem (CID 92896477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).