N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]phenyl]-4-chlorobenzamide

C21H16ClN3O2S — CID 141166244

IUPACN-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]phenyl]-4-chlorobenzamide
SMILESNc1nccc2scc(COc3cccc(NC(=O)c4ccc(Cl)cc4)c3)c12
InChIInChI=1S/C21H16ClN3O2S/c22-15-6-4-13(5-7-15)21(26)25-16-2-1-3-17(10-16)27-11-14-12-28-18-8-9-24-20(23)19(14)18/h1-10,12H,11H2,(H2,23,24)(H,25,26)
InChIKeyRVSITQSYOOHWNQ-UHFFFAOYSA-N
MW409.90 g/mol
LogP5.36
Rot. Bonds5

About N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]phenyl]-4-chlorobenzamide

N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]phenyl]-4-chlorobenzamide (PubChem CID 141166244) has the molecular formula C21H16ClN3O2S and a molecular weight of 409.90 g/mol. Its IUPAC name is N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]phenyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]phenyl]-4-chlorobenzamide
PubChem CID141166244
Molecular FormulaC21H16ClN3O2S
Molecular Weight409.90 g/mol
Exact Mass409.07
IUPAC NameN-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]phenyl]-4-chlorobenzamide
SMILESNc1nccc2scc(COc3cccc(NC(=O)c4ccc(Cl)cc4)c3)c12
InChIInChI=1S/C21H16ClN3O2S/c22-15-6-4-13(5-7-15)21(26)25-16-2-1-3-17(10-16)27-11-14-12-28-18-8-9-24-20(23)19(14)18/h1-10,12H,11H2,(H2,23,24)(H,25,26)
InChIKeyRVSITQSYOOHWNQ-UHFFFAOYSA-N
XLogP5.36
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.90
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]phenyl]-4-chlorobenzamide?
The IUPAC name of N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]phenyl]-4-chlorobenzamide (CID 141166244) is N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]phenyl]-4-chlorobenzamide.
What is the SMILES notation for N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]phenyl]-4-chlorobenzamide?
The canonical SMILES for N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]phenyl]-4-chlorobenzamide is Nc1nccc2scc(COc3cccc(NC(=O)c4ccc(Cl)cc4)c3)c12.
What is the InChIKey of N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]phenyl]-4-chlorobenzamide?
The InChIKey is RVSITQSYOOHWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2S/c22-15-6-4-13(5-7-15)21(26)25-16-2-1-3-17(10-16)27-11-14-12-28-18-8-9-24-20(23)19(14)18/h1-10,12H,11H2,(H2,23,24)(H,25,26).
What are the key properties of N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]phenyl]-4-chlorobenzamide?
N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]phenyl]-4-chlorobenzamide has a molecular weight of 409.90 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]phenyl]-4-chlorobenzamide is sourced from PubChem (CID 141166244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).