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

C19H16F2N2O3S — CID 155457937

IUPACbenzyl 3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
SMILESO=C(CCNC(=O)c1cc2nccc(C(F)F)c2s1)OCc1ccccc1
InChIInChI=1S/C19H16F2N2O3S/c20-18(21)13-6-8-22-14-10-15(27-17(13)14)19(25)23-9-7-16(24)26-11-12-4-2-1-3-5-12/h1-6,8,10,18H,7,9,11H2,(H,23,25)
InChIKeyONLQQTVUKLQKOH-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.10
Rot. Bonds7

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

benzyl 3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate (PubChem CID 155457937) has the molecular formula C19H16F2N2O3S and a molecular weight of 390.41 g/mol. Its IUPAC name is benzyl 3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namebenzyl 3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
PubChem CID155457937
Molecular FormulaC19H16F2N2O3S
Molecular Weight390.41 g/mol
Exact Mass390.08
IUPAC Namebenzyl 3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
SMILESO=C(CCNC(=O)c1cc2nccc(C(F)F)c2s1)OCc1ccccc1
InChIInChI=1S/C19H16F2N2O3S/c20-18(21)13-6-8-22-14-10-15(27-17(13)14)19(25)23-9-7-16(24)26-11-12-4-2-1-3-5-12/h1-6,8,10,18H,7,9,11H2,(H,23,25)
InChIKeyONLQQTVUKLQKOH-UHFFFAOYSA-N
XLogP4.10
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate?
The IUPAC name of benzyl 3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate (CID 155457937) is benzyl 3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate.
What is the SMILES notation for benzyl 3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate?
The canonical SMILES for benzyl 3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate is O=C(CCNC(=O)c1cc2nccc(C(F)F)c2s1)OCc1ccccc1.
What is the InChIKey of benzyl 3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate?
The InChIKey is ONLQQTVUKLQKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3S/c20-18(21)13-6-8-22-14-10-15(27-17(13)14)19(25)23-9-7-16(24)26-11-12-4-2-1-3-5-12/h1-6,8,10,18H,7,9,11H2,(H,23,25).
What are the key properties of benzyl 3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate?
benzyl 3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate has a molecular weight of 390.41 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 155457937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).