5-cyclopentyl-N-(3-methoxypropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

C16H24N2O2S — CID 53171183

IUPAC5-cyclopentyl-N-(3-methoxypropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCOCCCNC(=O)c1cc2c(s1)CN(C1CCCC1)C2
InChIInChI=1S/C16H24N2O2S/c1-20-8-4-7-17-16(19)14-9-12-10-18(11-15(12)21-14)13-5-2-3-6-13/h9,13H,2-8,10-11H2,1H3,(H,17,19)
InChIKeyUCKXOTDFJSPGEN-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.77
Rot. Bonds6

About 5-cyclopentyl-N-(3-methoxypropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

5-cyclopentyl-N-(3-methoxypropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 53171183) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 5-cyclopentyl-N-(3-methoxypropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-cyclopentyl-N-(3-methoxypropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
PubChem CID53171183
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name5-cyclopentyl-N-(3-methoxypropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCOCCCNC(=O)c1cc2c(s1)CN(C1CCCC1)C2
InChIInChI=1S/C16H24N2O2S/c1-20-8-4-7-17-16(19)14-9-12-10-18(11-15(12)21-14)13-5-2-3-6-13/h9,13H,2-8,10-11H2,1H3,(H,17,19)
InChIKeyUCKXOTDFJSPGEN-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-(3-methoxypropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of 5-cyclopentyl-N-(3-methoxypropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 53171183) is 5-cyclopentyl-N-(3-methoxypropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for 5-cyclopentyl-N-(3-methoxypropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for 5-cyclopentyl-N-(3-methoxypropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is COCCCNC(=O)c1cc2c(s1)CN(C1CCCC1)C2.
What is the InChIKey of 5-cyclopentyl-N-(3-methoxypropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is UCKXOTDFJSPGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-20-8-4-7-17-16(19)14-9-12-10-18(11-15(12)21-14)13-5-2-3-6-13/h9,13H,2-8,10-11H2,1H3,(H,17,19).
What are the key properties of 5-cyclopentyl-N-(3-methoxypropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
5-cyclopentyl-N-(3-methoxypropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-N-(3-methoxypropyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 53171183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).