3-[5-(dicyclopropylmethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid

C15H17NO3S — CID 76907021

IUPAC3-[5-(dicyclopropylmethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(C(=O)NC(C2CC2)C2CC2)s1
InChIInChI=1S/C15H17NO3S/c17-13(18)8-6-11-5-7-12(20-11)15(19)16-14(9-1-2-9)10-3-4-10/h5-10,14H,1-4H2,(H,16,19)(H,17,18)
InChIKeyFAEFKTKIDRNOFD-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.76
Rot. Bonds6

About 3-[5-(dicyclopropylmethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid

3-[5-(dicyclopropylmethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid (PubChem CID 76907021) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-[5-(dicyclopropylmethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[5-(dicyclopropylmethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
PubChem CID76907021
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name3-[5-(dicyclopropylmethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(C(=O)NC(C2CC2)C2CC2)s1
InChIInChI=1S/C15H17NO3S/c17-13(18)8-6-11-5-7-12(20-11)15(19)16-14(9-1-2-9)10-3-4-10/h5-10,14H,1-4H2,(H,16,19)(H,17,18)
InChIKeyFAEFKTKIDRNOFD-UHFFFAOYSA-N
XLogP2.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(dicyclopropylmethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid?
The IUPAC name of 3-[5-(dicyclopropylmethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid (CID 76907021) is 3-[5-(dicyclopropylmethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid.
What is the SMILES notation for 3-[5-(dicyclopropylmethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid?
The canonical SMILES for 3-[5-(dicyclopropylmethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid is O=C(O)C=Cc1ccc(C(=O)NC(C2CC2)C2CC2)s1.
What is the InChIKey of 3-[5-(dicyclopropylmethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid?
The InChIKey is FAEFKTKIDRNOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c17-13(18)8-6-11-5-7-12(20-11)15(19)16-14(9-1-2-9)10-3-4-10/h5-10,14H,1-4H2,(H,16,19)(H,17,18).
What are the key properties of 3-[5-(dicyclopropylmethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid?
3-[5-(dicyclopropylmethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid has a molecular weight of 291.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dicyclopropylmethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid is sourced from PubChem (CID 76907021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).