N-(2-cyclopropyl-2-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

C16H23NO2S — CID 52992766

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCC(O)(CNC(=O)C1(c2cccs2)CCCC1)C1CC1
InChIInChI=1S/C16H23NO2S/c1-15(19,12-6-7-12)11-17-14(18)16(8-2-3-9-16)13-5-4-10-20-13/h4-5,10,12,19H,2-3,6-9,11H2,1H3,(H,17,18)
InChIKeyFHXIOTJNRFMRDM-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.84
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

N-(2-cyclopropyl-2-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 52992766) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID52992766
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCC(O)(CNC(=O)C1(c2cccs2)CCCC1)C1CC1
InChIInChI=1S/C16H23NO2S/c1-15(19,12-6-7-12)11-17-14(18)16(8-2-3-9-16)13-5-4-10-20-13/h4-5,10,12,19H,2-3,6-9,11H2,1H3,(H,17,18)
InChIKeyFHXIOTJNRFMRDM-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 52992766) is N-(2-cyclopropyl-2-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is CC(O)(CNC(=O)C1(c2cccs2)CCCC1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is FHXIOTJNRFMRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-15(19,12-6-7-12)11-17-14(18)16(8-2-3-9-16)13-5-4-10-20-13/h4-5,10,12,19H,2-3,6-9,11H2,1H3,(H,17,18).
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-(2-cyclopropyl-2-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 293.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 52992766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).