3-benzoyl-N-dibenzofuran-3-yl-1,3-thiazolidine-4-carboxamide

C23H18N2O3S — CID 55796095

IUPAC3-benzoyl-N-dibenzofuran-3-yl-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)oc1ccccc12)C1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C23H18N2O3S/c26-22(19-13-29-14-25(19)23(27)15-6-2-1-3-7-15)24-16-10-11-18-17-8-4-5-9-20(17)28-21(18)12-16/h1-12,19H,13-14H2,(H,24,26)
InChIKeyYNWKJYZNGUNJEA-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.74
Rot. Bonds3

About 3-benzoyl-N-dibenzofuran-3-yl-1,3-thiazolidine-4-carboxamide

3-benzoyl-N-dibenzofuran-3-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 55796095) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is 3-benzoyl-N-dibenzofuran-3-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-benzoyl-N-dibenzofuran-3-yl-1,3-thiazolidine-4-carboxamide
PubChem CID55796095
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC Name3-benzoyl-N-dibenzofuran-3-yl-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)oc1ccccc12)C1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C23H18N2O3S/c26-22(19-13-29-14-25(19)23(27)15-6-2-1-3-7-15)24-16-10-11-18-17-8-4-5-9-20(17)28-21(18)12-16/h1-12,19H,13-14H2,(H,24,26)
InChIKeyYNWKJYZNGUNJEA-UHFFFAOYSA-N
XLogP4.74
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzoyl-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3548133
3-benzoyl-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide
CID 55620356
3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55509767
(4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 71889011
3-benzoyl-N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55515650
(4R)-3-benzoyl-N-[4-(tetrazol-1-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55941327
3-benzoyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 55768686
(4R)-3-benzoyl-N-[4-(diethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55942502
3-benzoyl-N-[3-(cyanomethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55800443
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 51330773
(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97310871

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-dibenzofuran-3-yl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-benzoyl-N-dibenzofuran-3-yl-1,3-thiazolidine-4-carboxamide (CID 55796095) is 3-benzoyl-N-dibenzofuran-3-yl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-benzoyl-N-dibenzofuran-3-yl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-benzoyl-N-dibenzofuran-3-yl-1,3-thiazolidine-4-carboxamide is O=C(Nc1ccc2c(c1)oc1ccccc12)C1CSCN1C(=O)c1ccccc1.
What is the InChIKey of 3-benzoyl-N-dibenzofuran-3-yl-1,3-thiazolidine-4-carboxamide?
The InChIKey is YNWKJYZNGUNJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3S/c26-22(19-13-29-14-25(19)23(27)15-6-2-1-3-7-15)24-16-10-11-18-17-8-4-5-9-20(17)28-21(18)12-16/h1-12,19H,13-14H2,(H,24,26).
What are the key properties of 3-benzoyl-N-dibenzofuran-3-yl-1,3-thiazolidine-4-carboxamide?
3-benzoyl-N-dibenzofuran-3-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-dibenzofuran-3-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 55796095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).