N-[(2-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)carbamoyl]-2-phenylacetamide

C22H16FN3O3S — CID 56668325

IUPACN-[(2-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)carbamoyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccnc3ccsc23)cc1F
InChIInChI=1S/C22H16FN3O3S/c23-16-13-15(29-19-8-10-24-18-9-11-30-21(18)19)6-7-17(16)25-22(28)26-20(27)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H2,25,26,27,28)
InChIKeyOAXKCWUKTUSASW-UHFFFAOYSA-N
MW421.45 g/mol
LogP5.12
Rot. Bonds5

About N-[(2-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)carbamoyl]-2-phenylacetamide

N-[(2-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)carbamoyl]-2-phenylacetamide (PubChem CID 56668325) has the molecular formula C22H16FN3O3S and a molecular weight of 421.45 g/mol. Its IUPAC name is N-[(2-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)carbamoyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)carbamoyl]-2-phenylacetamide
PubChem CID56668325
Molecular FormulaC22H16FN3O3S
Molecular Weight421.45 g/mol
Exact Mass421.09
IUPAC NameN-[(2-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)carbamoyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccnc3ccsc23)cc1F
InChIInChI=1S/C22H16FN3O3S/c23-16-13-15(29-19-8-10-24-18-9-11-30-21(18)19)6-7-17(16)25-22(28)26-20(27)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H2,25,26,27,28)
InChIKeyOAXKCWUKTUSASW-UHFFFAOYSA-N
XLogP5.12
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.45
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)carbamoyl]-2-phenylacetamide?
The IUPAC name of N-[(2-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)carbamoyl]-2-phenylacetamide (CID 56668325) is N-[(2-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)carbamoyl]-2-phenylacetamide.
What is the SMILES notation for N-[(2-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)carbamoyl]-2-phenylacetamide?
The canonical SMILES for N-[(2-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)carbamoyl]-2-phenylacetamide is O=C(Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccnc3ccsc23)cc1F.
What is the InChIKey of N-[(2-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)carbamoyl]-2-phenylacetamide?
The InChIKey is OAXKCWUKTUSASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3S/c23-16-13-15(29-19-8-10-24-18-9-11-30-21(18)19)6-7-17(16)25-22(28)26-20(27)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H2,25,26,27,28).
What are the key properties of N-[(2-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)carbamoyl]-2-phenylacetamide?
N-[(2-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)carbamoyl]-2-phenylacetamide has a molecular weight of 421.45 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)carbamoyl]-2-phenylacetamide is sourced from PubChem (CID 56668325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).