(2-tert-butyl-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl)-(2,4-difluorophenyl)carbamic acid

C24H20F2N2O3S — CID 66970556

IUPAC(2-tert-butyl-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl)-(2,4-difluorophenyl)carbamic acid
SMILESCC(C)(C)c1sc2c(ccc(=O)n2-c2ccccc2)c1N(C(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C24H20F2N2O3S/c1-24(2,3)21-20(28(23(30)31)18-11-9-14(25)13-17(18)26)16-10-12-19(29)27(22(16)32-21)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,30,31)
InChIKeyGBZDIPPEHCYUFI-UHFFFAOYSA-N
MW454.50 g/mol
LogP6.44
Rot. Bonds3

About (2-tert-butyl-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl)-(2,4-difluorophenyl)carbamic acid

(2-tert-butyl-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl)-(2,4-difluorophenyl)carbamic acid (PubChem CID 66970556) has the molecular formula C24H20F2N2O3S and a molecular weight of 454.50 g/mol. Its IUPAC name is (2-tert-butyl-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl)-(2,4-difluorophenyl)carbamic acid.

Molecular Properties

Compound Name(2-tert-butyl-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl)-(2,4-difluorophenyl)carbamic acid
PubChem CID66970556
Molecular FormulaC24H20F2N2O3S
Molecular Weight454.50 g/mol
Exact Mass454.12
IUPAC Name(2-tert-butyl-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl)-(2,4-difluorophenyl)carbamic acid
SMILESCC(C)(C)c1sc2c(ccc(=O)n2-c2ccccc2)c1N(C(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C24H20F2N2O3S/c1-24(2,3)21-20(28(23(30)31)18-11-9-14(25)13-17(18)26)16-10-12-19(29)27(22(16)32-21)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,30,31)
InChIKeyGBZDIPPEHCYUFI-UHFFFAOYSA-N
XLogP6.44
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.50
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-tert-butyl-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl)-(2,4-difluorophenyl)carbamic acid with MolForge

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Related Compounds

1-(2-hydroxy-2-methylpropyl)-1-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea
CID 67531559
3-amino-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 141082039
6-oxo-7-phenyl-3-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 141070337
lithium;3-(4-fluoro-3-methylanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride
CID 173035347
ethyl 3-(4-fluoro-3-methylanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 66970889
1-(2-hydroxyethyl)-3-(6-oxo-3,7-diphenylthieno[2,3-b]pyridin-2-yl)urea
CID 21083978
2-amino-3-(4-methylbenzoyl)-7-phenylthieno[2,3-b]pyridin-6-one
CID 67533006
3-N,6-N-bis(2,4-difluorophenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine
CID 59844854
2-(4-methylpiperazine-1-carbonyl)-3,7-diphenylthieno[2,3-b]pyridin-6-one
CID 21083982
3,6-difluoro-10-phenylacridin-9-one
CID 156785373
3-(N-benzyl-2,4-difluoroanilino)-2-methylpropanoic acid
CID 82317344
ethyl 3-[3-(fluoromethoxy)anilino]-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 142776436

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl)-(2,4-difluorophenyl)carbamic acid?
The IUPAC name of (2-tert-butyl-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl)-(2,4-difluorophenyl)carbamic acid (CID 66970556) is (2-tert-butyl-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl)-(2,4-difluorophenyl)carbamic acid.
What is the SMILES notation for (2-tert-butyl-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl)-(2,4-difluorophenyl)carbamic acid?
The canonical SMILES for (2-tert-butyl-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl)-(2,4-difluorophenyl)carbamic acid is CC(C)(C)c1sc2c(ccc(=O)n2-c2ccccc2)c1N(C(=O)O)c1ccc(F)cc1F.
What is the InChIKey of (2-tert-butyl-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl)-(2,4-difluorophenyl)carbamic acid?
The InChIKey is GBZDIPPEHCYUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O3S/c1-24(2,3)21-20(28(23(30)31)18-11-9-14(25)13-17(18)26)16-10-12-19(29)27(22(16)32-21)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,30,31).
What are the key properties of (2-tert-butyl-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl)-(2,4-difluorophenyl)carbamic acid?
(2-tert-butyl-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl)-(2,4-difluorophenyl)carbamic acid has a molecular weight of 454.50 g/mol, XLogP of 6.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl)-(2,4-difluorophenyl)carbamic acid is sourced from PubChem (CID 66970556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).