3-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

C24H26N2O4S — CID 20939696

IUPAC3-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2)NC1CCCc2ccccc21
InChIInChI=1S/C24H26N2O4S/c27-22(25-21-7-3-5-16-4-1-2-6-20(16)21)11-13-31(29,30)19-14-17-8-9-23(28)26-12-10-18(15-19)24(17)26/h1-2,4,6,14-15,21H,3,5,7-13H2,(H,25,27)
InChIKeyYDINGUZSPZVIHH-UHFFFAOYSA-N
MW438.55 g/mol
LogP2.88
Rot. Bonds5

About 3-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

3-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 20939696) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name3-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
PubChem CID20939696
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name3-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2)NC1CCCc2ccccc21
InChIInChI=1S/C24H26N2O4S/c27-22(25-21-7-3-5-16-4-1-2-6-20(16)21)11-13-31(29,30)19-14-17-8-9-23(28)26-12-10-18(15-19)24(17)26/h1-2,4,6,14-15,21H,3,5,7-13H2,(H,25,27)
InChIKeyYDINGUZSPZVIHH-UHFFFAOYSA-N
XLogP2.88
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 3-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (CID 20939696) is 3-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 3-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 3-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is O=C(CCS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2)NC1CCCc2ccccc21.
What is the InChIKey of 3-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is YDINGUZSPZVIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c27-22(25-21-7-3-5-16-4-1-2-6-20(16)21)11-13-31(29,30)19-14-17-8-9-23(28)26-12-10-18(15-19)24(17)26/h1-2,4,6,14-15,21H,3,5,7-13H2,(H,25,27).
What are the key properties of 3-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
3-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 438.55 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 20939696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).