methyl 3-[2-(2-chlorophenoxy)propanoylamino]-3-thiophen-2-ylpropanoate

C17H18ClNO4S — CID 134043484

IUPACmethyl 3-[2-(2-chlorophenoxy)propanoylamino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NC(=O)C(C)Oc1ccccc1Cl)c1cccs1
InChIInChI=1S/C17H18ClNO4S/c1-11(23-14-7-4-3-6-12(14)18)17(21)19-13(10-16(20)22-2)15-8-5-9-24-15/h3-9,11,13H,10H2,1-2H3,(H,19,21)
InChIKeyOMRIWXASBORVDZ-UHFFFAOYSA-N
MW367.85 g/mol
LogP3.59
Rot. Bonds7

About methyl 3-[2-(2-chlorophenoxy)propanoylamino]-3-thiophen-2-ylpropanoate

methyl 3-[2-(2-chlorophenoxy)propanoylamino]-3-thiophen-2-ylpropanoate (PubChem CID 134043484) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is methyl 3-[2-(2-chlorophenoxy)propanoylamino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-chlorophenoxy)propanoylamino]-3-thiophen-2-ylpropanoate
PubChem CID134043484
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Namemethyl 3-[2-(2-chlorophenoxy)propanoylamino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NC(=O)C(C)Oc1ccccc1Cl)c1cccs1
InChIInChI=1S/C17H18ClNO4S/c1-11(23-14-7-4-3-6-12(14)18)17(21)19-13(10-16(20)22-2)15-8-5-9-24-15/h3-9,11,13H,10H2,1-2H3,(H,19,21)
InChIKeyOMRIWXASBORVDZ-UHFFFAOYSA-N
XLogP3.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-(4-bromophenoxy)propanoylamino]-3-thiophen-2-ylpropanoate
CID 46538767
methyl 3-[(3-chloro-2-methylpropanoyl)amino]-3-thiophen-2-ylpropanoate
CID 62728678
methyl 3-(2-bromopropanoylamino)-3-thiophen-2-ylpropanoate
CID 107903839
3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897987
methyl 3-(2-methylsulfanylpropanoylamino)-3-thiophen-2-ylpropanoate
CID 47031380
methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 60739964
methyl 3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-3-thiophen-2-ylpropanoate
CID 46538752
methyl 3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-thiophen-2-ylpropanoate
CID 62852003
methyl 3-(2-bromobutanoylamino)-3-thiophen-2-ylpropanoate
CID 62855580
(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 93234576
N-[(1S)-3-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 29432857
methyl 3-[2-(2,3-dichlorophenoxy)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate
CID 55685991

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-chlorophenoxy)propanoylamino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-[2-(2-chlorophenoxy)propanoylamino]-3-thiophen-2-ylpropanoate (CID 134043484) is methyl 3-[2-(2-chlorophenoxy)propanoylamino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-[2-(2-chlorophenoxy)propanoylamino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-[2-(2-chlorophenoxy)propanoylamino]-3-thiophen-2-ylpropanoate is COC(=O)CC(NC(=O)C(C)Oc1ccccc1Cl)c1cccs1.
What is the InChIKey of methyl 3-[2-(2-chlorophenoxy)propanoylamino]-3-thiophen-2-ylpropanoate?
The InChIKey is OMRIWXASBORVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-11(23-14-7-4-3-6-12(14)18)17(21)19-13(10-16(20)22-2)15-8-5-9-24-15/h3-9,11,13H,10H2,1-2H3,(H,19,21).
What are the key properties of methyl 3-[2-(2-chlorophenoxy)propanoylamino]-3-thiophen-2-ylpropanoate?
methyl 3-[2-(2-chlorophenoxy)propanoylamino]-3-thiophen-2-ylpropanoate has a molecular weight of 367.85 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-chlorophenoxy)propanoylamino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 134043484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).