4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-N-ethylsulfonyl-3-methoxybenzamide

C19H21ClN2O5S — CID 122422546

IUPAC4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-N-ethylsulfonyl-3-methoxybenzamide
SMILESCCS(=O)(=O)NC(=O)c1ccc(-c2cnc(OC3CCC3)c(Cl)c2)c(OC)c1
InChIInChI=1S/C19H21ClN2O5S/c1-3-28(24,25)22-18(23)12-7-8-15(17(10-12)26-2)13-9-16(20)19(21-11-13)27-14-5-4-6-14/h7-11,14H,3-6H2,1-2H3,(H,22,23)
InChIKeyRXOSVEJXXCYCCO-UHFFFAOYSA-N
MW424.91 g/mol
LogP3.42
Rot. Bonds7

About 4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-N-ethylsulfonyl-3-methoxybenzamide

4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-N-ethylsulfonyl-3-methoxybenzamide (PubChem CID 122422546) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is 4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-N-ethylsulfonyl-3-methoxybenzamide.

Molecular Properties

Compound Name4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-N-ethylsulfonyl-3-methoxybenzamide
PubChem CID122422546
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC Name4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-N-ethylsulfonyl-3-methoxybenzamide
SMILESCCS(=O)(=O)NC(=O)c1ccc(-c2cnc(OC3CCC3)c(Cl)c2)c(OC)c1
InChIInChI=1S/C19H21ClN2O5S/c1-3-28(24,25)22-18(23)12-7-8-15(17(10-12)26-2)13-9-16(20)19(21-11-13)27-14-5-4-6-14/h7-11,14H,3-6H2,1-2H3,(H,22,23)
InChIKeyRXOSVEJXXCYCCO-UHFFFAOYSA-N
XLogP3.42
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-chloro-6-(2,4-dichloro-6-methylphenoxy)-3-pyridinyl]-N-ethylsulfonyl-3-methoxybenzamide
CID 122422550
4-[5-chloro-6-(2,4-dichloro-6-methylphenoxy)-3-pyridinyl]-N-methylsulfonyl-3-(oxetan-3-yloxy)benzamide
CID 122422461
4-[5-chloro-6-(4-chloro-3-methylphenoxy)-3-pyridinyl]-N-methylsulfonyl-3-(oxetan-3-yloxy)benzamide
CID 122422515
4-[5-chloro-6-[4-chloro-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide
CID 122422407
4-[5-chloro-6-(3-chloro-2-methylphenoxy)-3-pyridinyl]-3-(difluoromethoxy)-N-methylsulfonylbenzamide
CID 122422437
1-[4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-5-cyclopropyl-2-fluorophenyl]-2-methylsulfonylethanone
CID 162180116
5-chloro-6-cyclopentyloxypyridine-3-carboxylic acid
CID 16796007
N-[(5-chloro-6-cyclobutyloxy-3-pyridinyl)methyl]ethanamine
CID 62286994
3-cyclopentyloxy-N-(4-fluorophenyl)-4-methoxybenzamide
CID 10404302
4-[5-chloro-6-(3-chloro-2-methylphenoxy)-3-pyridinyl]-2-fluoro-5-methoxy-N-methylsulfonylbenzamide
CID 91884603
4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-iodobenzamide
CID 55956275
N-(5-chloro-2-hydroxyphenyl)-4-cyclopentyloxy-3-methoxybenzamide
CID 56581323

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-N-ethylsulfonyl-3-methoxybenzamide?
The IUPAC name of 4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-N-ethylsulfonyl-3-methoxybenzamide (CID 122422546) is 4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-N-ethylsulfonyl-3-methoxybenzamide.
What is the SMILES notation for 4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-N-ethylsulfonyl-3-methoxybenzamide?
The canonical SMILES for 4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-N-ethylsulfonyl-3-methoxybenzamide is CCS(=O)(=O)NC(=O)c1ccc(-c2cnc(OC3CCC3)c(Cl)c2)c(OC)c1.
What is the InChIKey of 4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-N-ethylsulfonyl-3-methoxybenzamide?
The InChIKey is RXOSVEJXXCYCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c1-3-28(24,25)22-18(23)12-7-8-15(17(10-12)26-2)13-9-16(20)19(21-11-13)27-14-5-4-6-14/h7-11,14H,3-6H2,1-2H3,(H,22,23).
What are the key properties of 4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-N-ethylsulfonyl-3-methoxybenzamide?
4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-N-ethylsulfonyl-3-methoxybenzamide has a molecular weight of 424.91 g/mol, XLogP of 3.42, 7 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)-N-ethylsulfonyl-3-methoxybenzamide is sourced from PubChem (CID 122422546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).