N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(2-oxabicyclo[2.2.1]heptan-6-yloxy)benzamide

C19H18Cl2N2O3S — CID 54000194

IUPACN-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(2-oxabicyclo[2.2.1]heptan-6-yloxy)benzamide
SMILESCSc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CC2COC1C2
InChIInChI=1S/C19H18Cl2N2O3S/c1-27-17-3-2-11(19(24)23-18-12(20)7-22-8-13(18)21)6-16(17)26-15-5-10-4-14(15)25-9-10/h2-3,6-8,10,14-15H,4-5,9H2,1H3,(H,22,23,24)
InChIKeyKLADIRPKZFISGS-UHFFFAOYSA-N
MW425.34 g/mol
LogP4.92
Rot. Bonds5

About N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(2-oxabicyclo[2.2.1]heptan-6-yloxy)benzamide

N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(2-oxabicyclo[2.2.1]heptan-6-yloxy)benzamide (PubChem CID 54000194) has the molecular formula C19H18Cl2N2O3S and a molecular weight of 425.34 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(2-oxabicyclo[2.2.1]heptan-6-yloxy)benzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(2-oxabicyclo[2.2.1]heptan-6-yloxy)benzamide
PubChem CID54000194
Molecular FormulaC19H18Cl2N2O3S
Molecular Weight425.34 g/mol
Exact Mass424.04
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(2-oxabicyclo[2.2.1]heptan-6-yloxy)benzamide
SMILESCSc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CC2COC1C2
InChIInChI=1S/C19H18Cl2N2O3S/c1-27-17-3-2-11(19(24)23-18-12(20)7-22-8-13(18)21)6-16(17)26-15-5-10-4-14(15)25-9-10/h2-3,6-8,10,14-15H,4-5,9H2,1H3,(H,22,23,24)
InChIKeyKLADIRPKZFISGS-UHFFFAOYSA-N
XLogP4.92
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.34
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(2-oxabicyclo[2.2.1]heptan-6-yloxy)benzamide with MolForge

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Related Compounds

N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-pentan-3-yloxybenzamide
CID 21187925
3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
CID 21187878
4-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2-methylsulfanylphenoxy]oxan-2-one
CID 67635915
sodium;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;hydroxide
CID 137440562
N-(3,5-difluoro-4-pyridinyl)-3-(1-methoxypropan-2-yloxy)-4-methylsulfanylbenzamide
CID 23204599
N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-(pyridine-2-carbonyl)benzamide
CID 54422123
N-(3,5-dichloro-4-pyridinyl)-5-(1-methoxypropoxy)-6-methylsulfanylpyridine-3-carboxamide
CID 23204760
3-(1-bromopropoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
CID 140646532
N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-(2-methylprop-1-enyl)benzamide
CID 54167545
2-(3,5-dichloro-2-pyridinyl)-1-[4-methylsulfanyl-3-(oxolan-3-yloxy)phenyl]ethanone
CID 54399325
N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(oxolan-3-yl)indole-5-carboxamide
CID 71200949
4-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-3-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methoxy]benzamide
CID 15941684

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(2-oxabicyclo[2.2.1]heptan-6-yloxy)benzamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(2-oxabicyclo[2.2.1]heptan-6-yloxy)benzamide (CID 54000194) is N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(2-oxabicyclo[2.2.1]heptan-6-yloxy)benzamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(2-oxabicyclo[2.2.1]heptan-6-yloxy)benzamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(2-oxabicyclo[2.2.1]heptan-6-yloxy)benzamide is CSc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CC2COC1C2.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(2-oxabicyclo[2.2.1]heptan-6-yloxy)benzamide?
The InChIKey is KLADIRPKZFISGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3S/c1-27-17-3-2-11(19(24)23-18-12(20)7-22-8-13(18)21)6-16(17)26-15-5-10-4-14(15)25-9-10/h2-3,6-8,10,14-15H,4-5,9H2,1H3,(H,22,23,24).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(2-oxabicyclo[2.2.1]heptan-6-yloxy)benzamide?
N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(2-oxabicyclo[2.2.1]heptan-6-yloxy)benzamide has a molecular weight of 425.34 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(2-oxabicyclo[2.2.1]heptan-6-yloxy)benzamide is sourced from PubChem (CID 54000194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).