methyl 2-[(5-phenylthiophen-3-yl)amino]propanoate

C14H15NO2S — CID 69319766

IUPACmethyl 2-[(5-phenylthiophen-3-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1csc(-c2ccccc2)c1
InChIInChI=1S/C14H15NO2S/c1-10(14(16)17-2)15-12-8-13(18-9-12)11-6-4-3-5-7-11/h3-10,15H,1-2H3
InChIKeySMDNGLLZIMZFLI-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.39
Rot. Bonds4

About methyl 2-[(5-phenylthiophen-3-yl)amino]propanoate

methyl 2-[(5-phenylthiophen-3-yl)amino]propanoate (PubChem CID 69319766) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is methyl 2-[(5-phenylthiophen-3-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(5-phenylthiophen-3-yl)amino]propanoate
PubChem CID69319766
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Namemethyl 2-[(5-phenylthiophen-3-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1csc(-c2ccccc2)c1
InChIInChI=1S/C14H15NO2S/c1-10(14(16)17-2)15-12-8-13(18-9-12)11-6-4-3-5-7-11/h3-10,15H,1-2H3
InChIKeySMDNGLLZIMZFLI-UHFFFAOYSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-anilinopropanoate
CID 3417283
methyl 2-[(2-phenylpyrimidin-5-yl)amino]propanoate
CID 66172915
methyl 3-amino-5-phenylthiophene-2-carboxylate;N-(5-phenylthiophen-3-yl)acetamide
CID 158480369
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696
methyl 2-(2-phenylanilino)propanoate
CID 54941069
methyl 2-[(4-phenylthiophen-2-yl)methylamino]propanoate
CID 61018262
2-(4-phenylanilino)propanamide
CID 60671359
methyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate
CID 66173914
methyl (2S)-2-(4-methylanilino)propanoate
CID 6940435
methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate
CID 66171884
methyl (2S)-2-(4-chloroanilino)propanoate
CID 18442844
methyl (2S)-2-(3,5-dichloroanilino)propanoate
CID 26599088

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-phenylthiophen-3-yl)amino]propanoate?
The IUPAC name of methyl 2-[(5-phenylthiophen-3-yl)amino]propanoate (CID 69319766) is methyl 2-[(5-phenylthiophen-3-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(5-phenylthiophen-3-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(5-phenylthiophen-3-yl)amino]propanoate is COC(=O)C(C)Nc1csc(-c2ccccc2)c1.
What is the InChIKey of methyl 2-[(5-phenylthiophen-3-yl)amino]propanoate?
The InChIKey is SMDNGLLZIMZFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10(14(16)17-2)15-12-8-13(18-9-12)11-6-4-3-5-7-11/h3-10,15H,1-2H3.
What are the key properties of methyl 2-[(5-phenylthiophen-3-yl)amino]propanoate?
methyl 2-[(5-phenylthiophen-3-yl)amino]propanoate has a molecular weight of 261.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-phenylthiophen-3-yl)amino]propanoate is sourced from PubChem (CID 69319766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).