N-[1-(3-fluoro-4-pyridinyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide

C18H21FN2OS — CID 126806600

IUPACN-[1-(3-fluoro-4-pyridinyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(c2cccs2)CCCCC1)c1ccncc1F
InChIInChI=1S/C18H21FN2OS/c1-13(14-7-10-20-12-15(14)19)21-17(22)18(8-3-2-4-9-18)16-6-5-11-23-16/h5-7,10-13H,2-4,8-9H2,1H3,(H,21,22)
InChIKeyZCCQMCYCLXWIEG-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.36
Rot. Bonds4

About N-[1-(3-fluoro-4-pyridinyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide

N-[1-(3-fluoro-4-pyridinyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide (PubChem CID 126806600) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-pyridinyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-pyridinyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
PubChem CID126806600
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC NameN-[1-(3-fluoro-4-pyridinyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(c2cccs2)CCCCC1)c1ccncc1F
InChIInChI=1S/C18H21FN2OS/c1-13(14-7-10-20-12-15(14)19)21-17(22)18(8-3-2-4-9-18)16-6-5-11-23-16/h5-7,10-13H,2-4,8-9H2,1H3,(H,21,22)
InChIKeyZCCQMCYCLXWIEG-UHFFFAOYSA-N
XLogP4.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435427
N-(2,4-difluorophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435435
N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 119642271
1-(3-chlorophenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide
CID 78844552
1-[(4-cyanophenyl)methyl]-3-[(1R)-1-(3-fluoro-4-pyridinyl)ethyl]urea
CID 124842395
(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol
CID 115834007
N-pyrimidin-2-yl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698477
N-[4-(2-fluorophenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90574572
N-(2-chlorophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435589
N-(3-chlorophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435317
N-(2-methoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435562
N',N'-dimethyl-1-thiophen-2-ylcyclopropane-1-carbohydrazide
CID 116848288

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-pyridinyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[1-(3-fluoro-4-pyridinyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide (CID 126806600) is N-[1-(3-fluoro-4-pyridinyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-(3-fluoro-4-pyridinyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[1-(3-fluoro-4-pyridinyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide is CC(NC(=O)C1(c2cccs2)CCCCC1)c1ccncc1F.
What is the InChIKey of N-[1-(3-fluoro-4-pyridinyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide?
The InChIKey is ZCCQMCYCLXWIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS/c1-13(14-7-10-20-12-15(14)19)21-17(22)18(8-3-2-4-9-18)16-6-5-11-23-16/h5-7,10-13H,2-4,8-9H2,1H3,(H,21,22).
What are the key properties of N-[1-(3-fluoro-4-pyridinyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide?
N-[1-(3-fluoro-4-pyridinyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-pyridinyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 126806600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).