N-(3-hydroxy-4,4-dimethylpentyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

C17H27NO2S — CID 90523415

IUPACN-(3-hydroxy-4,4-dimethylpentyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCC(C)(C)C(O)CCNC(=O)C1(c2cccs2)CCCC1
InChIInChI=1S/C17H27NO2S/c1-16(2,3)13(19)8-11-18-15(20)17(9-4-5-10-17)14-7-6-12-21-14/h6-7,12-13,19H,4-5,8-11H2,1-3H3,(H,18,20)
InChIKeyWESGRESLSDTGIG-UHFFFAOYSA-N
MW309.47 g/mol
LogP3.47
Rot. Bonds5

About N-(3-hydroxy-4,4-dimethylpentyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

N-(3-hydroxy-4,4-dimethylpentyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 90523415) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is N-(3-hydroxy-4,4-dimethylpentyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4,4-dimethylpentyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID90523415
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC NameN-(3-hydroxy-4,4-dimethylpentyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCC(C)(C)C(O)CCNC(=O)C1(c2cccs2)CCCC1
InChIInChI=1S/C17H27NO2S/c1-16(2,3)13(19)8-11-18-15(20)17(9-4-5-10-17)14-7-6-12-21-14/h6-7,12-13,19H,4-5,8-11H2,1-3H3,(H,18,20)
InChIKeyWESGRESLSDTGIG-UHFFFAOYSA-N
XLogP3.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 90523415) is N-(3-hydroxy-4,4-dimethylpentyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4,4-dimethylpentyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-4,4-dimethylpentyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is CC(C)(C)C(O)CCNC(=O)C1(c2cccs2)CCCC1.
What is the InChIKey of N-(3-hydroxy-4,4-dimethylpentyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is WESGRESLSDTGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-16(2,3)13(19)8-11-18-15(20)17(9-4-5-10-17)14-7-6-12-21-14/h6-7,12-13,19H,4-5,8-11H2,1-3H3,(H,18,20).
What are the key properties of N-(3-hydroxy-4,4-dimethylpentyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-(3-hydroxy-4,4-dimethylpentyl)-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 309.47 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4,4-dimethylpentyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 90523415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).