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

C18H18Cl2N2O2S — CID 15458418

IUPAC3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1
InChIInChI=1S/C18H18Cl2N2O2S/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)
InChIKeyPMHJWAJNMVNWLQ-UHFFFAOYSA-N
MW397.33 g/mol
LogP5.68
Rot. Bonds5

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

3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanylbenzamide (PubChem CID 15458418) has the molecular formula C18H18Cl2N2O2S and a molecular weight of 397.33 g/mol. Its IUPAC name is 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound Name3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanylbenzamide
PubChem CID15458418
Molecular FormulaC18H18Cl2N2O2S
Molecular Weight397.33 g/mol
Exact Mass396.05
IUPAC Name3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1
InChIInChI=1S/C18H18Cl2N2O2S/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)
InChIKeyPMHJWAJNMVNWLQ-UHFFFAOYSA-N
XLogP5.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.33
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanylbenzamide?
The IUPAC name of 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanylbenzamide (CID 15458418) is 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanylbenzamide.
What is the SMILES notation for 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanylbenzamide?
The canonical SMILES for 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1.
What is the InChIKey of 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanylbenzamide?
The InChIKey is PMHJWAJNMVNWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2S/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-dichloro-4-pyridinyl)-4-methylsulfanylbenzamide?
3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanylbenzamide has a molecular weight of 397.33 g/mol, XLogP of 5.68, 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-dichloro-4-pyridinyl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 15458418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).