N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide

C17H25NO2S — CID 111471238

IUPACN-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
SMILESO=C(NCC1CCCC1O)C1(c2cccs2)CCCCC1
InChIInChI=1S/C17H25NO2S/c19-14-7-4-6-13(14)12-18-16(20)17(9-2-1-3-10-17)15-8-5-11-21-15/h5,8,11,13-14,19H,1-4,6-7,9-10,12H2,(H,18,20)
InChIKeyCQYQFDJCUYAPEB-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.23
Rot. Bonds4

About N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide

N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide (PubChem CID 111471238) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
PubChem CID111471238
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
SMILESO=C(NCC1CCCC1O)C1(c2cccs2)CCCCC1
InChIInChI=1S/C17H25NO2S/c19-14-7-4-6-13(14)12-18-16(20)17(9-2-1-3-10-17)15-8-5-11-21-15/h5,8,11,13-14,19H,1-4,6-7,9-10,12H2,(H,18,20)
InChIKeyCQYQFDJCUYAPEB-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide (CID 111471238) is N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide is O=C(NCC1CCCC1O)C1(c2cccs2)CCCCC1.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide?
The InChIKey is CQYQFDJCUYAPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c19-14-7-4-6-13(14)12-18-16(20)17(9-2-1-3-10-17)15-8-5-11-21-15/h5,8,11,13-14,19H,1-4,6-7,9-10,12H2,(H,18,20).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide?
N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 111471238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).