5-[(3-cyclobutylidene-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]-2-methoxybenzamide

C19H24N2O4S — CID 138988318

IUPAC5-[(3-cyclobutylidene-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2C3CCC2CC(=C2CCC2)C3)cc1C(N)=O
InChIInChI=1S/C19H24N2O4S/c1-25-18-8-7-16(11-17(18)19(20)22)26(23,24)21-14-5-6-15(21)10-13(9-14)12-3-2-4-12/h7-8,11,14-15H,2-6,9-10H2,1H3,(H2,20,22)
InChIKeyRYKMMMFMOJWFHC-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.59
Rot. Bonds4

About 5-[(3-cyclobutylidene-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]-2-methoxybenzamide

5-[(3-cyclobutylidene-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]-2-methoxybenzamide (PubChem CID 138988318) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-[(3-cyclobutylidene-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[(3-cyclobutylidene-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]-2-methoxybenzamide
PubChem CID138988318
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name5-[(3-cyclobutylidene-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2C3CCC2CC(=C2CCC2)C3)cc1C(N)=O
InChIInChI=1S/C19H24N2O4S/c1-25-18-8-7-16(11-17(18)19(20)22)26(23,24)21-14-5-6-15(21)10-13(9-14)12-3-2-4-12/h7-8,11,14-15H,2-6,9-10H2,1H3,(H2,20,22)
InChIKeyRYKMMMFMOJWFHC-UHFFFAOYSA-N
XLogP2.59
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-[(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzamide
CID 121186296
2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119979778
5-[(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)sulfonyl]-2-methoxybenzamide
CID 122273597
2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide
CID 171134280
2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid
CID 146024578
5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide
CID 119983942
2-methoxy-5-sulfamoylbenzamide;hydrochloride
CID 22748858
5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2-methoxybenzamide;hydrochloride
CID 119989115
methyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate
CID 146024645
5-[[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2-methoxybenzamide
CID 122345792
5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide
CID 146024625
2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
CID 146024506

Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclobutylidene-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]-2-methoxybenzamide?
The IUPAC name of 5-[(3-cyclobutylidene-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]-2-methoxybenzamide (CID 138988318) is 5-[(3-cyclobutylidene-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]-2-methoxybenzamide.
What is the SMILES notation for 5-[(3-cyclobutylidene-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]-2-methoxybenzamide?
The canonical SMILES for 5-[(3-cyclobutylidene-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]-2-methoxybenzamide is COc1ccc(S(=O)(=O)N2C3CCC2CC(=C2CCC2)C3)cc1C(N)=O.
What is the InChIKey of 5-[(3-cyclobutylidene-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]-2-methoxybenzamide?
The InChIKey is RYKMMMFMOJWFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-25-18-8-7-16(11-17(18)19(20)22)26(23,24)21-14-5-6-15(21)10-13(9-14)12-3-2-4-12/h7-8,11,14-15H,2-6,9-10H2,1H3,(H2,20,22).
What are the key properties of 5-[(3-cyclobutylidene-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]-2-methoxybenzamide?
5-[(3-cyclobutylidene-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]-2-methoxybenzamide has a molecular weight of 376.48 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyclobutylidene-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]-2-methoxybenzamide is sourced from PubChem (CID 138988318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).