ethyl 2-acetamido-3-(6-thiophen-2-yl-3-pyridinyl)propanoate

C16H18N2O3S — CID 101345384

IUPACethyl 2-acetamido-3-(6-thiophen-2-yl-3-pyridinyl)propanoate
SMILESCCOC(=O)C(Cc1ccc(-c2cccs2)nc1)NC(C)=O
InChIInChI=1S/C16H18N2O3S/c1-3-21-16(20)14(18-11(2)19)9-12-6-7-13(17-10-12)15-5-4-8-22-15/h4-8,10,14H,3,9H2,1-2H3,(H,18,19)
InChIKeyBWDFOIVRWAOYJC-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.42
Rot. Bonds6

About ethyl 2-acetamido-3-(6-thiophen-2-yl-3-pyridinyl)propanoate

ethyl 2-acetamido-3-(6-thiophen-2-yl-3-pyridinyl)propanoate (PubChem CID 101345384) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is ethyl 2-acetamido-3-(6-thiophen-2-yl-3-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl 2-acetamido-3-(6-thiophen-2-yl-3-pyridinyl)propanoate
PubChem CID101345384
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Nameethyl 2-acetamido-3-(6-thiophen-2-yl-3-pyridinyl)propanoate
SMILESCCOC(=O)C(Cc1ccc(-c2cccs2)nc1)NC(C)=O
InChIInChI=1S/C16H18N2O3S/c1-3-21-16(20)14(18-11(2)19)9-12-6-7-13(17-10-12)15-5-4-8-22-15/h4-8,10,14H,3,9H2,1-2H3,(H,18,19)
InChIKeyBWDFOIVRWAOYJC-UHFFFAOYSA-N
XLogP2.42
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-acetamido-3-[4-[2-[4-(2-acetamido-3-ethoxy-3-oxopropyl)phenyl]ethyl]phenyl]propanoate
CID 101157552
ethyl 2-acetamido-3-[4-(chloromethyl)phenyl]propanoate
CID 14701760
ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
CID 2723594
5-(2-methylbutyl)-2-thiophen-2-ylpyridine
CID 142831463
ethyl 2-acetamido-3-(4-cyanophenyl)propanoate
CID 10869023
ethyl 2-amino-3-(4-thiophen-2-ylphenyl)propanoate;hydrochloride
CID 174360592
ethyl 2-acetamido-3-oxo-3-thiophen-2-ylpropanoate
CID 139836661
propyl 2-acetamido-3-phenylpropanoate
CID 3917469
(6-thiophen-2-yl-3-pyridinyl) carbamate
CID 139580211
methyl (2S)-2-acetamido-3-(1-benzothiophen-5-yl)propanoate
CID 139813685
ethyl (2R)-2-[(3-thiophen-2-yl-1,2-oxazole-5-carbonyl)amino]propanoate
CID 51496478
ethyl (2S)-2-acetamido-3-[4-(2-methoxyphenyl)phenyl]propanoate
CID 139910489

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-3-(6-thiophen-2-yl-3-pyridinyl)propanoate?
The IUPAC name of ethyl 2-acetamido-3-(6-thiophen-2-yl-3-pyridinyl)propanoate (CID 101345384) is ethyl 2-acetamido-3-(6-thiophen-2-yl-3-pyridinyl)propanoate.
What is the SMILES notation for ethyl 2-acetamido-3-(6-thiophen-2-yl-3-pyridinyl)propanoate?
The canonical SMILES for ethyl 2-acetamido-3-(6-thiophen-2-yl-3-pyridinyl)propanoate is CCOC(=O)C(Cc1ccc(-c2cccs2)nc1)NC(C)=O.
What is the InChIKey of ethyl 2-acetamido-3-(6-thiophen-2-yl-3-pyridinyl)propanoate?
The InChIKey is BWDFOIVRWAOYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-3-21-16(20)14(18-11(2)19)9-12-6-7-13(17-10-12)15-5-4-8-22-15/h4-8,10,14H,3,9H2,1-2H3,(H,18,19).
What are the key properties of ethyl 2-acetamido-3-(6-thiophen-2-yl-3-pyridinyl)propanoate?
ethyl 2-acetamido-3-(6-thiophen-2-yl-3-pyridinyl)propanoate has a molecular weight of 318.40 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-3-(6-thiophen-2-yl-3-pyridinyl)propanoate is sourced from PubChem (CID 101345384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).