3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid

C15H15NO4S — CID 3242317

IUPAC3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid
SMILESCOc1ccc(C(CC(=O)O)NC(=O)c2cccs2)cc1
InChIInChI=1S/C15H15NO4S/c1-20-11-6-4-10(5-7-11)12(9-14(17)18)16-15(19)13-3-2-8-21-13/h2-8,12H,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyJNELHVARRDZWTP-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.70
Rot. Bonds6

About 3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid

3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid (PubChem CID 3242317) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid
PubChem CID3242317
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid
SMILESCOc1ccc(C(CC(=O)O)NC(=O)c2cccs2)cc1
InChIInChI=1S/C15H15NO4S/c1-20-11-6-4-10(5-7-11)12(9-14(17)18)16-15(19)13-3-2-8-21-13/h2-8,12H,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyJNELHVARRDZWTP-UHFFFAOYSA-N
XLogP2.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Thiophene derivative, 3f
CID 25023799
N-(4-Methoxy-benzyl)-2-thiophen-2-yl-acetamide
CID 670019
N-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5147612
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2363992
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 2364677
N-[(4-methoxyphenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2477202
Methyl 3-(3,4-dimethoxyphenyl)-3-[(2-thienylcarbonyl)amino]propanoate
CID 3382837
N-[1-(4-methoxyphenyl)ethyl]-2-(thiophen-2-yl)acetamide
CID 6466745
2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
CID 24982054
4-ethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 897479
trans-4-((4-(4-(Trifluoromethoxy)phenyl)thiophene-2-carboxamido)methyl)cyclohexanecarboxylic acid
CID 10387791
(R)-3-(5-fluoro-4-(4-(trifluoromethoxy)phenyl)thiophene-2-carboxamido)-3-phenylpropanoic acid
CID 11305534

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid?
The IUPAC name of 3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid (CID 3242317) is 3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid?
The canonical SMILES for 3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid is COc1ccc(C(CC(=O)O)NC(=O)c2cccs2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid?
The InChIKey is JNELHVARRDZWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-20-11-6-4-10(5-7-11)12(9-14(17)18)16-15(19)13-3-2-8-21-13/h2-8,12H,9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid?
3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid has a molecular weight of 305.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid is sourced from PubChem (CID 3242317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).