N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide

C17H16Cl2N2O3S — CID 23204562

IUPACN-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide
SMILESCSc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCOC1
InChIInChI=1S/C17H16Cl2N2O3S/c1-25-15-3-2-10(6-14(15)24-11-4-5-23-9-11)17(22)21-16-12(18)7-20-8-13(16)19/h2-3,6-8,11H,4-5,9H2,1H3,(H,20,21,22)
InChIKeyXTQSOVGTSIXCNX-UHFFFAOYSA-N
MW399.30 g/mol
LogP4.53
Rot. Bonds5

About N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide

N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide (PubChem CID 23204562) has the molecular formula C17H16Cl2N2O3S and a molecular weight of 399.30 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide
PubChem CID23204562
Molecular FormulaC17H16Cl2N2O3S
Molecular Weight399.30 g/mol
Exact Mass398.03
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide
SMILESCSc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCOC1
InChIInChI=1S/C17H16Cl2N2O3S/c1-25-15-3-2-10(6-14(15)24-11-4-5-23-9-11)17(22)21-16-12(18)7-20-8-13(16)19/h2-3,6-8,11H,4-5,9H2,1H3,(H,20,21,22)
InChIKeyXTQSOVGTSIXCNX-UHFFFAOYSA-N
XLogP4.53
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Piclamilast
CID 154575
3-[2-(2,4-dichlorophenyl)ethoxy]-4-(methylsulfanyl)-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052452
3-Cyclohexyloxy-N-(3,5-dichloro-pyridin-4-yl)-4-methoxy-benzamide
CID 10000753
3-Butoxy-N-(3,5-dichloro-pyridin-4-yl)-4-methoxy-benzamide
CID 10021978
N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-3-[4-(2-oxooxolan-3-yl)sulfanylbutoxy]benzamide
CID 71254628
N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-3-[3-(2-oxooxolan-3-yl)sulfanylpropoxy]benzamide
CID 71262640
N-(3,5-dichloro-4-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide
CID 2451367
N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propoxybenzamide
CID 56850690
N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-propan-2-yloxybenzamide
CID 21187872
N-(3,5-dichloro-4-pyridinyl)-3-ethoxy-4-methoxybenzamide
CID 56850689
N-(3,5-dichloro-4-pyridinyl)-3,4-diethoxybenzamide
CID 56850824
3-(Cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-methylbenzamide
CID 24848935

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide (CID 23204562) is N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide is CSc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCOC1.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide?
The InChIKey is XTQSOVGTSIXCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3S/c1-25-15-3-2-10(6-14(15)24-11-4-5-23-9-11)17(22)21-16-12(18)7-20-8-13(16)19/h2-3,6-8,11H,4-5,9H2,1H3,(H,20,21,22).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide?
N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide has a molecular weight of 399.30 g/mol, XLogP of 4.53, 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-(oxolan-3-yloxy)benzamide is sourced from PubChem (CID 23204562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).