methyl 2-[(3-phenylthiophene-2-carbonyl)amino]propanoate

C15H15NO3S — CID 60656755

IUPACmethyl 2-[(3-phenylthiophene-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C15H15NO3S/c1-10(15(18)19-2)16-14(17)13-12(8-9-20-13)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,17)
InChIKeyOPGKDRICWCFBFL-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.71
Rot. Bonds4

About methyl 2-[(3-phenylthiophene-2-carbonyl)amino]propanoate

methyl 2-[(3-phenylthiophene-2-carbonyl)amino]propanoate (PubChem CID 60656755) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is methyl 2-[(3-phenylthiophene-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3-phenylthiophene-2-carbonyl)amino]propanoate
PubChem CID60656755
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Namemethyl 2-[(3-phenylthiophene-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C15H15NO3S/c1-10(15(18)19-2)16-14(17)13-12(8-9-20-13)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,17)
InChIKeyOPGKDRICWCFBFL-UHFFFAOYSA-N
XLogP2.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 18110932
N-tert-butyl-3-phenylthiophene-2-carboxamide
CID 60629670
N-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide
CID 18267936
N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide
CID 119497469
methyl 2-[[3-(3-hydroxyprop-1-ynyl)thiophene-2-carbonyl]amino]propanoate
CID 55239547
methyl (2S)-2-benzamidopropanoate
CID 6364617
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide
CID 106180732
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
N-(3,5-dimethoxyphenyl)-3-phenylthiophene-2-carboxamide
CID 17449024
3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 47013045
N-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide
CID 119641993
N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide
CID 65110113

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-phenylthiophene-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-[(3-phenylthiophene-2-carbonyl)amino]propanoate (CID 60656755) is methyl 2-[(3-phenylthiophene-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(3-phenylthiophene-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[(3-phenylthiophene-2-carbonyl)amino]propanoate is COC(=O)C(C)NC(=O)c1sccc1-c1ccccc1.
What is the InChIKey of methyl 2-[(3-phenylthiophene-2-carbonyl)amino]propanoate?
The InChIKey is OPGKDRICWCFBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-10(15(18)19-2)16-14(17)13-12(8-9-20-13)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,17).
What are the key properties of methyl 2-[(3-phenylthiophene-2-carbonyl)amino]propanoate?
methyl 2-[(3-phenylthiophene-2-carbonyl)amino]propanoate has a molecular weight of 289.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-phenylthiophene-2-carbonyl)amino]propanoate is sourced from PubChem (CID 60656755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).