3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanylbenzamide

C18H18F2N2O2S — CID 21187866

IUPAC3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2c(F)cncc2F)cc1OC1CCCC1
InChIInChI=1S/C18H18F2N2O2S/c1-25-16-7-6-11(8-15(16)24-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
InChIKeySOZNNNYGIKAICB-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.66
Rot. Bonds5

About 3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanylbenzamide

3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanylbenzamide (PubChem CID 21187866) has the molecular formula C18H18F2N2O2S and a molecular weight of 364.42 g/mol. Its IUPAC name is 3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound Name3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanylbenzamide
PubChem CID21187866
Molecular FormulaC18H18F2N2O2S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2c(F)cncc2F)cc1OC1CCCC1
InChIInChI=1S/C18H18F2N2O2S/c1-25-16-7-6-11(8-15(16)24-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
InChIKeySOZNNNYGIKAICB-UHFFFAOYSA-N
XLogP4.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Cyclopentyloxy-4-methoxy-N-(2,3,5-trifluoro-pyridin-4-yl)-benzamide
CID 10406571
3-ethoxy-N-4-pyridinylbenzamide
CID 2970821
3-ethoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide
CID 56823273
3-[(4-fluorophenyl)methoxy]-N-pyridin-4-ylbenzamide
CID 39953684
2-fluoro-5-methoxy-N-(2-thiophen-2-yl-4-pyridinyl)benzamide
CID 178305483
3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methoxybenzamide
CID 21187850
N-(3,5-dichloropyrid-4-yl)-3-cyclopentyloxy-4-(fluoromethylthio)-benzamide
CID 21187859
N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanyl-3-propan-2-yloxybenzamide
CID 21187937
5-cyclopentyloxy-2-fluoro-4-methoxy-N-(2,3,5-trifluoro-4-pyridinyl)benzamide
CID 22145808
5-cyclopentyloxy-N-(3,5-dimethyl-4-pyridinyl)-2-fluoro-4-methoxybenzamide
CID 22145816
5-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-2-fluoro-4-methoxybenzamide
CID 22145901
N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide
CID 23204590

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanylbenzamide?
The IUPAC name of 3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanylbenzamide (CID 21187866) is 3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanylbenzamide.
What is the SMILES notation for 3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanylbenzamide?
The canonical SMILES for 3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2c(F)cncc2F)cc1OC1CCCC1.
What is the InChIKey of 3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanylbenzamide?
The InChIKey is SOZNNNYGIKAICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2S/c1-25-16-7-6-11(8-15(16)24-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23).
What are the key properties of 3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanylbenzamide?
3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanylbenzamide has a molecular weight of 364.42 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 21187866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).