3-[2-[1-(furan-2-yl)propan-2-ylcarbamoyl]thiophen-3-yl]prop-2-enoic acid

C15H15NO4S — CID 77017847

IUPAC3-[2-[1-(furan-2-yl)propan-2-ylcarbamoyl]thiophen-3-yl]prop-2-enoic acid
SMILESCC(Cc1ccco1)NC(=O)c1sccc1C=CC(=O)O
InChIInChI=1S/C15H15NO4S/c1-10(9-12-3-2-7-20-12)16-15(19)14-11(6-8-21-14)4-5-13(17)18/h2-8,10H,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyVFOBASMCOAUELA-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.80
Rot. Bonds6

About 3-[2-[1-(furan-2-yl)propan-2-ylcarbamoyl]thiophen-3-yl]prop-2-enoic acid

3-[2-[1-(furan-2-yl)propan-2-ylcarbamoyl]thiophen-3-yl]prop-2-enoic acid (PubChem CID 77017847) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-[2-[1-(furan-2-yl)propan-2-ylcarbamoyl]thiophen-3-yl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[2-[1-(furan-2-yl)propan-2-ylcarbamoyl]thiophen-3-yl]prop-2-enoic acid
PubChem CID77017847
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name3-[2-[1-(furan-2-yl)propan-2-ylcarbamoyl]thiophen-3-yl]prop-2-enoic acid
SMILESCC(Cc1ccco1)NC(=O)c1sccc1C=CC(=O)O
InChIInChI=1S/C15H15NO4S/c1-10(9-12-3-2-7-20-12)16-15(19)14-11(6-8-21-14)4-5-13(17)18/h2-8,10H,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyVFOBASMCOAUELA-UHFFFAOYSA-N
XLogP2.80
TPSA79.54 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 ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-methylpentan-2-ylcarbamoyl)thiophen-3-yl]prop-2-enoic acid
CID 77007015
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
3-[2-(2-methylpentan-3-ylcarbamoyl)thiophen-3-yl]prop-2-enoic acid
CID 77018320
3-[2-(1-thiophen-2-ylethylcarbamoyl)thiophen-3-yl]prop-2-enoic acid
CID 77006999
3-[2-[[furan-2-ylmethyl(methyl)amino]methyl]thiophen-3-yl]prop-2-enoic acid
CID 76918273
(E)-3-[2-(dimethylaminocarbamoyl)thiophen-3-yl]prop-2-enoic acid
CID 83023501
N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide
CID 47168762
N-[1-(furan-2-yl)propan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604499
3-[2-[(1-methylcyclohexyl)carbamoyl]thiophen-3-yl]prop-2-enoic acid
CID 77007770
3-(2-acetylthiophen-3-yl)prop-2-enoic acid
CID 169460277
2-amino-N-[1-(furan-2-yl)propan-2-yl]-2-thiophen-2-ylacetamide
CID 113279094
3-[2-(cyclohexylmethylcarbamoyl)thiophen-3-yl]prop-2-enoic acid
CID 77007017

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(furan-2-yl)propan-2-ylcarbamoyl]thiophen-3-yl]prop-2-enoic acid?
The IUPAC name of 3-[2-[1-(furan-2-yl)propan-2-ylcarbamoyl]thiophen-3-yl]prop-2-enoic acid (CID 77017847) is 3-[2-[1-(furan-2-yl)propan-2-ylcarbamoyl]thiophen-3-yl]prop-2-enoic acid.
What is the SMILES notation for 3-[2-[1-(furan-2-yl)propan-2-ylcarbamoyl]thiophen-3-yl]prop-2-enoic acid?
The canonical SMILES for 3-[2-[1-(furan-2-yl)propan-2-ylcarbamoyl]thiophen-3-yl]prop-2-enoic acid is CC(Cc1ccco1)NC(=O)c1sccc1C=CC(=O)O.
What is the InChIKey of 3-[2-[1-(furan-2-yl)propan-2-ylcarbamoyl]thiophen-3-yl]prop-2-enoic acid?
The InChIKey is VFOBASMCOAUELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-10(9-12-3-2-7-20-12)16-15(19)14-11(6-8-21-14)4-5-13(17)18/h2-8,10H,9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-[2-[1-(furan-2-yl)propan-2-ylcarbamoyl]thiophen-3-yl]prop-2-enoic acid?
3-[2-[1-(furan-2-yl)propan-2-ylcarbamoyl]thiophen-3-yl]prop-2-enoic acid has a molecular weight of 305.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(furan-2-yl)propan-2-ylcarbamoyl]thiophen-3-yl]prop-2-enoic acid is sourced from PubChem (CID 77017847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).