4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-3-methoxy-N-methylsulfonylbenzamide

C18H19ClN2O5S — CID 155568180

IUPAC4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-3-methoxy-N-methylsulfonylbenzamide
SMILESCOc1cc(C(=O)NS(C)(=O)=O)ccc1-c1cnc(OC2CCC2)c(Cl)c1
InChIInChI=1S/C18H19ClN2O5S/c1-25-16-9-11(17(22)21-27(2,23)24)6-7-14(16)12-8-15(19)18(20-10-12)26-13-4-3-5-13/h6-10,13H,3-5H2,1-2H3,(H,21,22)
InChIKeyFZYCZJOQFWMVCT-UHFFFAOYSA-N
MW410.88 g/mol
LogP3.03
Rot. Bonds6

About 4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-3-methoxy-N-methylsulfonylbenzamide

4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-3-methoxy-N-methylsulfonylbenzamide (PubChem CID 155568180) has the molecular formula C18H19ClN2O5S and a molecular weight of 410.88 g/mol. Its IUPAC name is 4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-3-methoxy-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-3-methoxy-N-methylsulfonylbenzamide
PubChem CID155568180
Molecular FormulaC18H19ClN2O5S
Molecular Weight410.88 g/mol
Exact Mass410.07
IUPAC Name4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-3-methoxy-N-methylsulfonylbenzamide
SMILESCOc1cc(C(=O)NS(C)(=O)=O)ccc1-c1cnc(OC2CCC2)c(Cl)c1
InChIInChI=1S/C18H19ClN2O5S/c1-25-16-9-11(17(22)21-27(2,23)24)6-7-14(16)12-8-15(19)18(20-10-12)26-13-4-3-5-13/h6-10,13H,3-5H2,1-2H3,(H,21,22)
InChIKeyFZYCZJOQFWMVCT-UHFFFAOYSA-N
XLogP3.03
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-3-methoxy-N-methylsulfonylbenzamide?
The IUPAC name of 4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-3-methoxy-N-methylsulfonylbenzamide (CID 155568180) is 4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-3-methoxy-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-3-methoxy-N-methylsulfonylbenzamide?
The canonical SMILES for 4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-3-methoxy-N-methylsulfonylbenzamide is COc1cc(C(=O)NS(C)(=O)=O)ccc1-c1cnc(OC2CCC2)c(Cl)c1.
What is the InChIKey of 4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-3-methoxy-N-methylsulfonylbenzamide?
The InChIKey is FZYCZJOQFWMVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5S/c1-25-16-9-11(17(22)21-27(2,23)24)6-7-14(16)12-8-15(19)18(20-10-12)26-13-4-3-5-13/h6-10,13H,3-5H2,1-2H3,(H,21,22).
What are the key properties of 4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-3-methoxy-N-methylsulfonylbenzamide?
4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-3-methoxy-N-methylsulfonylbenzamide has a molecular weight of 410.88 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-3-methoxy-N-methylsulfonylbenzamide is sourced from PubChem (CID 155568180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).