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

C26H24N2O3S — CID 155457965

IUPACbenzyl 3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
SMILESCCc1ccccc1-c1ccnc2cc(C(=O)NCCC(=O)OCc3ccccc3)sc12
InChIInChI=1S/C26H24N2O3S/c1-2-19-10-6-7-11-20(19)21-12-14-27-22-16-23(32-25(21)22)26(30)28-15-13-24(29)31-17-18-8-4-3-5-9-18/h3-12,14,16H,2,13,15,17H2,1H3,(H,28,30)
InChIKeyVRCWJUPOSQNBFX-UHFFFAOYSA-N
MW444.56 g/mol
LogP5.39
Rot. Bonds8

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

benzyl 3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate (PubChem CID 155457965) has the molecular formula C26H24N2O3S and a molecular weight of 444.56 g/mol. Its IUPAC name is benzyl 3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namebenzyl 3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
PubChem CID155457965
Molecular FormulaC26H24N2O3S
Molecular Weight444.56 g/mol
Exact Mass444.15
IUPAC Namebenzyl 3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
SMILESCCc1ccccc1-c1ccnc2cc(C(=O)NCCC(=O)OCc3ccccc3)sc12
InChIInChI=1S/C26H24N2O3S/c1-2-19-10-6-7-11-20(19)21-12-14-27-22-16-23(32-25(21)22)26(30)28-15-13-24(29)31-17-18-8-4-3-5-9-18/h3-12,14,16H,2,13,15,17H2,1H3,(H,28,30)
InChIKeyVRCWJUPOSQNBFX-UHFFFAOYSA-N
XLogP5.39
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl 3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate with MolForge

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Related Compounds

benzyl 3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate
CID 155458095
benzyl 3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate
CID 164526971
cyclopropylmethyl 3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate
CID 155570685
benzyl (2R)-3-[(7-cyclopropylthieno[3,2-b]pyridine-2-carbonyl)amino]-2-(phenylmethoxycarbonylamino)propanoate
CID 155760348
benzyl 3-[[3,6-diamino-5-(2-methoxyethylcarbamoyl)pyrazine-2-carbonyl]amino]propanoate
CID 67890720
benzyl 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate;hydrochloride
CID 69462227
benzyl 3-[(3-amino-2-phenylpropanoyl)amino]propanoate
CID 54506547
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
ethyl 3-[(2-ethylbenzoyl)amino]propanoate
CID 70914012
benzyl (4S)-4-amino-5-oxo-5-(propylamino)pentanoate
CID 143979155
ethyl (2R)-2,4-dibenzyl-5-oxo-5-[[3-oxo-3-(pyridin-3-ylmethoxy)propyl]amino]pentanoate
CID 57083235
2-[4-methoxy-3-[2-[[(3-oxo-3-phenylmethoxypropyl)amino]methyl]phenyl]phenyl]acetic acid
CID 68632775

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate?
The IUPAC name of benzyl 3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate (CID 155457965) is benzyl 3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate.
What is the SMILES notation for benzyl 3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate?
The canonical SMILES for benzyl 3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate is CCc1ccccc1-c1ccnc2cc(C(=O)NCCC(=O)OCc3ccccc3)sc12.
What is the InChIKey of benzyl 3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate?
The InChIKey is VRCWJUPOSQNBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S/c1-2-19-10-6-7-11-20(19)21-12-14-27-22-16-23(32-25(21)22)26(30)28-15-13-24(29)31-17-18-8-4-3-5-9-18/h3-12,14,16H,2,13,15,17H2,1H3,(H,28,30).
What are the key properties of benzyl 3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate?
benzyl 3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate has a molecular weight of 444.56 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 155457965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).