methyl 3-[3-(2,3-dimethoxyphenyl)propanoylamino]-3-thiophen-2-ylpropanoate

C19H23NO5S — CID 47019238

IUPACmethyl 3-[3-(2,3-dimethoxyphenyl)propanoylamino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NC(=O)CCc1cccc(OC)c1OC)c1cccs1
InChIInChI=1S/C19H23NO5S/c1-23-15-7-4-6-13(19(15)25-3)9-10-17(21)20-14(12-18(22)24-2)16-8-5-11-26-16/h4-8,11,14H,9-10,12H2,1-3H3,(H,20,21)
InChIKeyFMNQVRFMSRNSRO-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.12
Rot. Bonds9

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

methyl 3-[3-(2,3-dimethoxyphenyl)propanoylamino]-3-thiophen-2-ylpropanoate (PubChem CID 47019238) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is methyl 3-[3-(2,3-dimethoxyphenyl)propanoylamino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[3-(2,3-dimethoxyphenyl)propanoylamino]-3-thiophen-2-ylpropanoate
PubChem CID47019238
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Namemethyl 3-[3-(2,3-dimethoxyphenyl)propanoylamino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NC(=O)CCc1cccc(OC)c1OC)c1cccs1
InChIInChI=1S/C19H23NO5S/c1-23-15-7-4-6-13(19(15)25-3)9-10-17(21)20-14(12-18(22)24-2)16-8-5-11-26-16/h4-8,11,14H,9-10,12H2,1-3H3,(H,20,21)
InChIKeyFMNQVRFMSRNSRO-UHFFFAOYSA-N
XLogP3.12
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (3S)-3-(3-phenylpropanoylamino)-3-thiophen-2-ylpropanoate
CID 94062744
methyl (3R)-3-(3-phenylpropanoylamino)-3-thiophen-2-ylpropanoate
CID 94062745
methyl 3-[(2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoate
CID 43724941
methyl 3-[4-(methylamino)butanoylamino]-3-thiophen-2-ylpropanoate
CID 54925162
methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-3-thiophen-2-ylpropanoate
CID 47019230
methyl 3-(6-aminohexanoylamino)-3-thiophen-2-ylpropanoate
CID 43709873
methyl (3S)-3-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-3-thiophen-2-ylpropanoate
CID 30829913
methyl 3-(2-bromopropanoylamino)-3-thiophen-2-ylpropanoate
CID 107903839
methyl 3-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-thiophen-2-ylpropanoate
CID 42937953
3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897987
methyl 3-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-thiophen-2-ylpropanoate
CID 55514197
3-(2-methoxyphenyl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]propanamide
CID 24613748

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(2,3-dimethoxyphenyl)propanoylamino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-[3-(2,3-dimethoxyphenyl)propanoylamino]-3-thiophen-2-ylpropanoate (CID 47019238) is methyl 3-[3-(2,3-dimethoxyphenyl)propanoylamino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-[3-(2,3-dimethoxyphenyl)propanoylamino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-[3-(2,3-dimethoxyphenyl)propanoylamino]-3-thiophen-2-ylpropanoate is COC(=O)CC(NC(=O)CCc1cccc(OC)c1OC)c1cccs1.
What is the InChIKey of methyl 3-[3-(2,3-dimethoxyphenyl)propanoylamino]-3-thiophen-2-ylpropanoate?
The InChIKey is FMNQVRFMSRNSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-23-15-7-4-6-13(19(15)25-3)9-10-17(21)20-14(12-18(22)24-2)16-8-5-11-26-16/h4-8,11,14H,9-10,12H2,1-3H3,(H,20,21).
What are the key properties of methyl 3-[3-(2,3-dimethoxyphenyl)propanoylamino]-3-thiophen-2-ylpropanoate?
methyl 3-[3-(2,3-dimethoxyphenyl)propanoylamino]-3-thiophen-2-ylpropanoate has a molecular weight of 377.46 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(2,3-dimethoxyphenyl)propanoylamino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 47019238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).