N-[2-(5,6-dihydro-4H-cyclopenta[c]thiophen-5-ylamino)-2-oxoethyl]-N-methylprop-2-enamide

C13H16N2O2S — CID 166416058

IUPACN-[2-(5,6-dihydro-4H-cyclopenta[c]thiophen-5-ylamino)-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NC1Cc2cscc2C1
InChIInChI=1S/C13H16N2O2S/c1-3-13(17)15(2)6-12(16)14-11-4-9-7-18-8-10(9)5-11/h3,7-8,11H,1,4-6H2,2H3,(H,14,16)
InChIKeyNHBKNDAVESKMMI-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.98
Rot. Bonds4

About N-[2-(5,6-dihydro-4H-cyclopenta[c]thiophen-5-ylamino)-2-oxoethyl]-N-methylprop-2-enamide

N-[2-(5,6-dihydro-4H-cyclopenta[c]thiophen-5-ylamino)-2-oxoethyl]-N-methylprop-2-enamide (PubChem CID 166416058) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[2-(5,6-dihydro-4H-cyclopenta[c]thiophen-5-ylamino)-2-oxoethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(5,6-dihydro-4H-cyclopenta[c]thiophen-5-ylamino)-2-oxoethyl]-N-methylprop-2-enamide
PubChem CID166416058
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-[2-(5,6-dihydro-4H-cyclopenta[c]thiophen-5-ylamino)-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NC1Cc2cscc2C1
InChIInChI=1S/C13H16N2O2S/c1-3-13(17)15(2)6-12(16)14-11-4-9-7-18-8-10(9)5-11/h3,7-8,11H,1,4-6H2,2H3,(H,14,16)
InChIKeyNHBKNDAVESKMMI-UHFFFAOYSA-N
XLogP0.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
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 N-[2-(5,6-dihydro-4H-cyclopenta[c]thiophen-5-ylamino)-2-oxoethyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[c]thiophen-5-ylamino)-2-oxoethyl]-N-methylprop-2-enamide (CID 166416058) is N-[2-(5,6-dihydro-4H-cyclopenta[c]thiophen-5-ylamino)-2-oxoethyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2-(5,6-dihydro-4H-cyclopenta[c]thiophen-5-ylamino)-2-oxoethyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2-(5,6-dihydro-4H-cyclopenta[c]thiophen-5-ylamino)-2-oxoethyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CC(=O)NC1Cc2cscc2C1.
What is the InChIKey of N-[2-(5,6-dihydro-4H-cyclopenta[c]thiophen-5-ylamino)-2-oxoethyl]-N-methylprop-2-enamide?
The InChIKey is NHBKNDAVESKMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-3-13(17)15(2)6-12(16)14-11-4-9-7-18-8-10(9)5-11/h3,7-8,11H,1,4-6H2,2H3,(H,14,16).
What are the key properties of N-[2-(5,6-dihydro-4H-cyclopenta[c]thiophen-5-ylamino)-2-oxoethyl]-N-methylprop-2-enamide?
N-[2-(5,6-dihydro-4H-cyclopenta[c]thiophen-5-ylamino)-2-oxoethyl]-N-methylprop-2-enamide has a molecular weight of 264.35 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dihydro-4H-cyclopenta[c]thiophen-5-ylamino)-2-oxoethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 166416058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).