methyl 3-(2-phenoxypropanoylamino)thiophene-2-carboxylate

C15H15NO4S — CID 18199794

IUPACmethyl 3-(2-phenoxypropanoylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C15H15NO4S/c1-10(20-11-6-4-3-5-7-11)14(17)16-12-8-9-21-13(12)15(18)19-2/h3-10H,1-2H3,(H,16,17)
InChIKeyGADKPLKOSSIMCG-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.94
Rot. Bonds5

About methyl 3-(2-phenoxypropanoylamino)thiophene-2-carboxylate

methyl 3-(2-phenoxypropanoylamino)thiophene-2-carboxylate (PubChem CID 18199794) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is methyl 3-(2-phenoxypropanoylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-phenoxypropanoylamino)thiophene-2-carboxylate
PubChem CID18199794
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Namemethyl 3-(2-phenoxypropanoylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C15H15NO4S/c1-10(20-11-6-4-3-5-7-11)14(17)16-12-8-9-21-13(12)15(18)19-2/h3-10H,1-2H3,(H,16,17)
InChIKeyGADKPLKOSSIMCG-UHFFFAOYSA-N
XLogP2.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]thiophene-2-carboxylate
CID 8537163
methyl 3-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]thiophene-2-carboxylate
CID 898480
methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate
CID 4108556
3-[2-(4-bromophenoxy)propanoylamino]thiophene-2-carboxylic acid
CID 43357972
methyl 3-[(2-bromo-2-phenylacetyl)amino]thiophene-2-carboxylate
CID 69190587
methyl 3-[[(2S)-2-phenylbutanoyl]amino]thiophene-2-carboxylate
CID 896080
methyl 3-[(2-bromo-3-methylbutanoyl)amino]thiophene-2-carboxylate
CID 43130541
3-(2-phenoxybutanoylamino)thiophene-2-carboxylic acid
CID 43358002
methyl 3-(2-cyclopropylpropanoylamino)thiophene-2-carboxylate
CID 79506555
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate
CID 719429
2-(4-methoxyphenoxy)-N-(2-thiophen-2-ylphenyl)propanamide
CID 51327828

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-phenoxypropanoylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(2-phenoxypropanoylamino)thiophene-2-carboxylate (CID 18199794) is methyl 3-(2-phenoxypropanoylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(2-phenoxypropanoylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(2-phenoxypropanoylamino)thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)C(C)Oc1ccccc1.
What is the InChIKey of methyl 3-(2-phenoxypropanoylamino)thiophene-2-carboxylate?
The InChIKey is GADKPLKOSSIMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-10(20-11-6-4-3-5-7-11)14(17)16-12-8-9-21-13(12)15(18)19-2/h3-10H,1-2H3,(H,16,17).
What are the key properties of methyl 3-(2-phenoxypropanoylamino)thiophene-2-carboxylate?
methyl 3-(2-phenoxypropanoylamino)thiophene-2-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-phenoxypropanoylamino)thiophene-2-carboxylate is sourced from PubChem (CID 18199794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).