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

C19H15F3N2O3S — CID 155458095

IUPACbenzyl 3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
SMILESO=C(CCNC(=O)c1cc2nccc(C(F)(F)F)c2s1)OCc1ccccc1
InChIInChI=1S/C19H15F3N2O3S/c20-19(21,22)13-6-8-23-14-10-15(28-17(13)14)18(26)24-9-7-16(25)27-11-12-4-2-1-3-5-12/h1-6,8,10H,7,9,11H2,(H,24,26)
InChIKeyVWVUCJMAXDTZQG-UHFFFAOYSA-N
MW408.40 g/mol
LogP4.18
Rot. Bonds6

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

benzyl 3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate (PubChem CID 155458095) has the molecular formula C19H15F3N2O3S and a molecular weight of 408.40 g/mol. Its IUPAC name is benzyl 3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namebenzyl 3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
PubChem CID155458095
Molecular FormulaC19H15F3N2O3S
Molecular Weight408.40 g/mol
Exact Mass408.08
IUPAC Namebenzyl 3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
SMILESO=C(CCNC(=O)c1cc2nccc(C(F)(F)F)c2s1)OCc1ccccc1
InChIInChI=1S/C19H15F3N2O3S/c20-19(21,22)13-6-8-23-14-10-15(28-17(13)14)18(26)24-9-7-16(25)27-11-12-4-2-1-3-5-12/h1-6,8,10H,7,9,11H2,(H,24,26)
InChIKeyVWVUCJMAXDTZQG-UHFFFAOYSA-N
XLogP4.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
CID 155457965
methyl (2R)-2-(phenylmethoxycarbonylamino)-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
CID 156621764
methyl (2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
CID 155458087
cyclopropylmethyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate
CID 155570685
benzyl 3-[(3-aminobenzoyl)amino]propanoate;2,2,2-trifluoroacetic acid
CID 67827899
benzyl (2R)-3-[(7-cyclopropylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate
CID 155760348
methyl (2R)-3-amino-2-(phenylmethoxycarbonylamino)propanoate;methyl (2R)-2-(phenylmethoxycarbonylamino)-3-[(7-propan-2-yloxythieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;7-propan-2-yloxythieno[3,2-b]pyridine-2-carboxylic acid;hydrochloride
CID 158480729
benzyl 3-[[3,6-diamino-5-(2-methoxyethylcarbamoyl)pyrazine-2-carbonyl]amino]propanoate
CID 67890720
[2-(trifluoromethyl)phenyl]methyl 3-[(3-methylbenzoyl)amino]propanoate
CID 25494057
benzyl 6-[4-chloro-2-(trifluoromethyl)anilino]-6-oxohexanoate
CID 139776728
cyclopropyl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate;cyclopropyl (2R)-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate;7-methylthieno[3,2-b]pyridine-2-carboxylic acid
CID 161238524
benzyl 2-[4-amino-2-(trifluoromethyl)phenoxy]acetate
CID 154815329

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate?
The IUPAC name of benzyl 3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate (CID 155458095) is benzyl 3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate.
What is the SMILES notation for benzyl 3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate?
The canonical SMILES for benzyl 3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate is O=C(CCNC(=O)c1cc2nccc(C(F)(F)F)c2s1)OCc1ccccc1.
What is the InChIKey of benzyl 3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate?
The InChIKey is VWVUCJMAXDTZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3S/c20-19(21,22)13-6-8-23-14-10-15(28-17(13)14)18(26)24-9-7-16(25)27-11-12-4-2-1-3-5-12/h1-6,8,10H,7,9,11H2,(H,24,26).
What are the key properties of benzyl 3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate?
benzyl 3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate has a molecular weight of 408.40 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 155458095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).