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

C18H20Cl2N2O3S — CID 23204611

IUPACN-(3,5-dichloro-4-pyridinyl)-3-(3-methoxybutoxy)-4-methylsulfanylbenzamide
SMILESCOC(C)CCOc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1SC
InChIInChI=1S/C18H20Cl2N2O3S/c1-11(24-2)6-7-25-15-8-12(4-5-16(15)26-3)18(23)22-17-13(19)9-21-10-14(17)20/h4-5,8-11H,6-7H2,1-3H3,(H,21,22,23)
InChIKeyMXWYVEIOYJJWGU-UHFFFAOYSA-N
MW415.34 g/mol
LogP5.17
Rot. Bonds8

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

N-(3,5-dichloro-4-pyridinyl)-3-(3-methoxybutoxy)-4-methylsulfanylbenzamide (PubChem CID 23204611) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-3-(3-methoxybutoxy)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-3-(3-methoxybutoxy)-4-methylsulfanylbenzamide
PubChem CID23204611
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-3-(3-methoxybutoxy)-4-methylsulfanylbenzamide
SMILESCOC(C)CCOc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1SC
InChIInChI=1S/C18H20Cl2N2O3S/c1-11(24-2)6-7-25-15-8-12(4-5-16(15)26-3)18(23)22-17-13(19)9-21-10-14(17)20/h4-5,8-11H,6-7H2,1-3H3,(H,21,22,23)
InChIKeyMXWYVEIOYJJWGU-UHFFFAOYSA-N
XLogP5.17
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.34
LogP ≤ 55.17
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-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)-3,4-diethoxybenzamide
CID 56850824
3-(Cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-methylbenzamide
CID 24848935
N-(3,5-dichloropyrid-4-yl)-3-cyclopentyloxy-4-(fluoromethylthio)-benzamide
CID 21187859
3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanylbenzamide
CID 21187866
N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanyl-3-propan-2-yloxybenzamide
CID 21187937

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-3-(3-methoxybutoxy)-4-methylsulfanylbenzamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-3-(3-methoxybutoxy)-4-methylsulfanylbenzamide (CID 23204611) is N-(3,5-dichloro-4-pyridinyl)-3-(3-methoxybutoxy)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-3-(3-methoxybutoxy)-4-methylsulfanylbenzamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-3-(3-methoxybutoxy)-4-methylsulfanylbenzamide is COC(C)CCOc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1SC.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-3-(3-methoxybutoxy)-4-methylsulfanylbenzamide?
The InChIKey is MXWYVEIOYJJWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-11(24-2)6-7-25-15-8-12(4-5-16(15)26-3)18(23)22-17-13(19)9-21-10-14(17)20/h4-5,8-11H,6-7H2,1-3H3,(H,21,22,23).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-3-(3-methoxybutoxy)-4-methylsulfanylbenzamide?
N-(3,5-dichloro-4-pyridinyl)-3-(3-methoxybutoxy)-4-methylsulfanylbenzamide has a molecular weight of 415.34 g/mol, XLogP of 5.17, 8 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)-3-(3-methoxybutoxy)-4-methylsulfanylbenzamide is sourced from PubChem (CID 23204611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).