methyl 2-amino-5-(1-phenylethyl)thiophene-3-carboxylate

C14H15NO2S — CID 3518251

IUPACmethyl 2-amino-5-(1-phenylethyl)thiophene-3-carboxylate
SMILESCOC(=O)c1cc(C(C)c2ccccc2)sc1N
InChIInChI=1S/C14H15NO2S/c1-9(10-6-4-3-5-7-10)12-8-11(13(15)18-12)14(16)17-2/h3-9H,15H2,1-2H3
InChIKeyFLGJKAWEVKYTSD-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.27
Rot. Bonds3

About methyl 2-amino-5-(1-phenylethyl)thiophene-3-carboxylate

methyl 2-amino-5-(1-phenylethyl)thiophene-3-carboxylate (PubChem CID 3518251) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is methyl 2-amino-5-(1-phenylethyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(1-phenylethyl)thiophene-3-carboxylate
PubChem CID3518251
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Namemethyl 2-amino-5-(1-phenylethyl)thiophene-3-carboxylate
SMILESCOC(=O)c1cc(C(C)c2ccccc2)sc1N
InChIInChI=1S/C14H15NO2S/c1-9(10-6-4-3-5-7-10)12-8-11(13(15)18-12)14(16)17-2/h3-9H,15H2,1-2H3
InChIKeyFLGJKAWEVKYTSD-UHFFFAOYSA-N
XLogP3.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-amino-5-(1-phenylethyl)thiophen-3-yl]acetic acid
CID 175285641
methyl 2-[(4-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate
CID 5043327
ethyl 2-[(2-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate
CID 46094953
ethyl 2-(2,2-dimethylpropanoylamino)-5-[(1S)-1-phenylethyl]thiophene-3-carboxylate
CID 92760384
ethyl 2-(butanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate
CID 92759883
ethyl 2-(butanoylamino)-5-(1-phenylethyl)thiophene-3-carboxylate
CID 46086648
dimethyl 5-aminothiophene-2,4-dicarboxylate
CID 19982419
ethyl 2-[[(2S)-2-phenylbutanoyl]amino]-5-[(1S)-1-phenylethyl]thiophene-3-carboxylate
CID 92770061
ethyl 2-[[(2S)-2-methylpentanoyl]amino]-5-[(1S)-1-phenylethyl]thiophene-3-carboxylate
CID 92760651
ethyl 2-[(2-ethoxybenzoyl)amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate
CID 92771089
ethyl 2-[(5-methylthiophene-3-carbonyl)amino]-5-[(1S)-1-phenylethyl]thiophene-3-carboxylate
CID 7027911
methyl 2-amino-3-(1-phenylethylamino)benzoate
CID 115544214

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(1-phenylethyl)thiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-5-(1-phenylethyl)thiophene-3-carboxylate (CID 3518251) is methyl 2-amino-5-(1-phenylethyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(1-phenylethyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-5-(1-phenylethyl)thiophene-3-carboxylate is COC(=O)c1cc(C(C)c2ccccc2)sc1N.
What is the InChIKey of methyl 2-amino-5-(1-phenylethyl)thiophene-3-carboxylate?
The InChIKey is FLGJKAWEVKYTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-9(10-6-4-3-5-7-10)12-8-11(13(15)18-12)14(16)17-2/h3-9H,15H2,1-2H3.
What are the key properties of methyl 2-amino-5-(1-phenylethyl)thiophene-3-carboxylate?
methyl 2-amino-5-(1-phenylethyl)thiophene-3-carboxylate has a molecular weight of 261.35 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(1-phenylethyl)thiophene-3-carboxylate is sourced from PubChem (CID 3518251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).