N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-propan-2-yloxybenzamide

C16H16Cl2N2O2S — CID 21187966

IUPACN-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-propan-2-yloxybenzamide
SMILESCSc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC(C)C
InChIInChI=1S/C16H16Cl2N2O2S/c1-9(2)22-13-6-10(4-5-14(13)23-3)16(21)20-15-11(17)7-19-8-12(15)18/h4-9H,1-3H3,(H,19,20,21)
InChIKeySJDFEXRDKZBMKU-UHFFFAOYSA-N
MW371.29 g/mol
LogP5.15
Rot. Bonds5

About N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-propan-2-yloxybenzamide

N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-propan-2-yloxybenzamide (PubChem CID 21187966) has the molecular formula C16H16Cl2N2O2S and a molecular weight of 371.29 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-propan-2-yloxybenzamide
PubChem CID21187966
Molecular FormulaC16H16Cl2N2O2S
Molecular Weight371.29 g/mol
Exact Mass370.03
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-propan-2-yloxybenzamide
SMILESCSc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC(C)C
InChIInChI=1S/C16H16Cl2N2O2S/c1-9(2)22-13-6-10(4-5-14(13)23-3)16(21)20-15-11(17)7-19-8-12(15)18/h4-9H,1-3H3,(H,19,20,21)
InChIKeySJDFEXRDKZBMKU-UHFFFAOYSA-N
XLogP5.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.29
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-propan-2-yloxybenzamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-propan-2-yloxybenzamide (CID 21187966) is N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-propan-2-yloxybenzamide is CSc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC(C)C.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-propan-2-yloxybenzamide?
The InChIKey is SJDFEXRDKZBMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2S/c1-9(2)22-13-6-10(4-5-14(13)23-3)16(21)20-15-11(17)7-19-8-12(15)18/h4-9H,1-3H3,(H,19,20,21).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-propan-2-yloxybenzamide?
N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-propan-2-yloxybenzamide has a molecular weight of 371.29 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-propan-2-yloxybenzamide is sourced from PubChem (CID 21187966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).