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

C15H15NO4S — CID 155931722

IUPACmethyl 3-(2-phenylethoxycarbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)OCCc1ccccc1
InChIInChI=1S/C15H15NO4S/c1-19-14(17)13-12(8-10-21-13)16-15(18)20-9-7-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H,16,18)
InChIKeyZGXPKNKPMNKNBW-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.33
Rot. Bonds5

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

methyl 3-(2-phenylethoxycarbonylamino)thiophene-2-carboxylate (PubChem CID 155931722) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is methyl 3-(2-phenylethoxycarbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-phenylethoxycarbonylamino)thiophene-2-carboxylate
PubChem CID155931722
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Namemethyl 3-(2-phenylethoxycarbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)OCCc1ccccc1
InChIInChI=1S/C15H15NO4S/c1-19-14(17)13-12(8-10-21-13)16-15(18)20-9-7-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H,16,18)
InChIKeyZGXPKNKPMNKNBW-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(dibenzylcarbamothioylamino)thiophene-2-carboxylate
CID 46506384
methyl 3-(3,3-diphenylpropanoylamino)thiophene-2-carboxylate
CID 3421520
methyl 3-[[(2S)-2-phenylbutanoyl]amino]thiophene-2-carboxylate
CID 896080
methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]thiophene-2-carboxylate
CID 27805316
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-[(2-bromo-2-phenylacetyl)amino]thiophene-2-carboxylate
CID 69190587
methyl 3-[(2-amino-2-methylbutanoyl)amino]thiophene-2-carboxylate
CID 79805278
methyl 3-[[(2S)-2-aminobutanoyl]amino]thiophene-2-carboxylate
CID 79023231
methyl 3-(4-phenylbut-1-ynyl)thiophene-2-carboxylate
CID 14918121
methyl 3-(2-phenoxypropanoylamino)thiophene-2-carboxylate
CID 18199794
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-phenylethoxycarbonylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(2-phenylethoxycarbonylamino)thiophene-2-carboxylate (CID 155931722) is methyl 3-(2-phenylethoxycarbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(2-phenylethoxycarbonylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(2-phenylethoxycarbonylamino)thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)OCCc1ccccc1.
What is the InChIKey of methyl 3-(2-phenylethoxycarbonylamino)thiophene-2-carboxylate?
The InChIKey is ZGXPKNKPMNKNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-19-14(17)13-12(8-10-21-13)16-15(18)20-9-7-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H,16,18).
What are the key properties of methyl 3-(2-phenylethoxycarbonylamino)thiophene-2-carboxylate?
methyl 3-(2-phenylethoxycarbonylamino)thiophene-2-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-phenylethoxycarbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 155931722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).