benzyl 3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate

C19H17FN2O3S — CID 155457972

IUPACbenzyl 3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
SMILESO=C(CCNC(=O)c1cc2nccc(CF)c2s1)OCc1ccccc1
InChIInChI=1S/C19H17FN2O3S/c20-11-14-6-8-21-15-10-16(26-18(14)15)19(24)22-9-7-17(23)25-12-13-4-2-1-3-5-13/h1-6,8,10H,7,9,11-12H2,(H,22,24)
InChIKeyYVZAALSMSDCXEM-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.63
Rot. Bonds7

About benzyl 3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate

benzyl 3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate (PubChem CID 155457972) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is benzyl 3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namebenzyl 3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
PubChem CID155457972
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Namebenzyl 3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
SMILESO=C(CCNC(=O)c1cc2nccc(CF)c2s1)OCc1ccccc1
InChIInChI=1S/C19H17FN2O3S/c20-11-14-6-8-21-15-10-16(26-18(14)15)19(24)22-9-7-17(23)25-12-13-4-2-1-3-5-13/h1-6,8,10H,7,9,11-12H2,(H,22,24)
InChIKeyYVZAALSMSDCXEM-UHFFFAOYSA-N
XLogP3.63
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate?
The IUPAC name of benzyl 3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate (CID 155457972) is benzyl 3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate.
What is the SMILES notation for benzyl 3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate?
The canonical SMILES for benzyl 3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate is O=C(CCNC(=O)c1cc2nccc(CF)c2s1)OCc1ccccc1.
What is the InChIKey of benzyl 3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate?
The InChIKey is YVZAALSMSDCXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c20-11-14-6-8-21-15-10-16(26-18(14)15)19(24)22-9-7-17(23)25-12-13-4-2-1-3-5-13/h1-6,8,10H,7,9,11-12H2,(H,22,24).
What are the key properties of benzyl 3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate?
benzyl 3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate has a molecular weight of 372.42 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 155457972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).