4-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methylsulfamoyl]benzamide

C24H33N3O3S — CID 54273871

IUPAC4-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methylsulfamoyl]benzamide
SMILESCCCN(CCC)C1CCc2ccc(CNS(=O)(=O)c3ccc(C(N)=O)cc3)cc2C1
InChIInChI=1S/C24H33N3O3S/c1-3-13-27(14-4-2)22-10-7-19-6-5-18(15-21(19)16-22)17-26-31(29,30)23-11-8-20(9-12-23)24(25)28/h5-6,8-9,11-12,15,22,26H,3-4,7,10,13-14,16-17H2,1-2H3,(H2,25,28)
InChIKeyRMAPJYQSFMLKPG-UHFFFAOYSA-N
MW443.61 g/mol
LogP3.24
Rot. Bonds10

About 4-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methylsulfamoyl]benzamide

4-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methylsulfamoyl]benzamide (PubChem CID 54273871) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is 4-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methylsulfamoyl]benzamide.

Molecular Properties

Compound Name4-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methylsulfamoyl]benzamide
PubChem CID54273871
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC Name4-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methylsulfamoyl]benzamide
SMILESCCCN(CCC)C1CCc2ccc(CNS(=O)(=O)c3ccc(C(N)=O)cc3)cc2C1
InChIInChI=1S/C24H33N3O3S/c1-3-13-27(14-4-2)22-10-7-19-6-5-18(15-21(19)16-22)17-26-31(29,30)23-11-8-20(9-12-23)24(25)28/h5-6,8-9,11-12,15,22,26H,3-4,7,10,13-14,16-17H2,1-2H3,(H2,25,28)
InChIKeyRMAPJYQSFMLKPG-UHFFFAOYSA-N
XLogP3.24
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methylsulfamoyl]benzamide?
The IUPAC name of 4-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methylsulfamoyl]benzamide (CID 54273871) is 4-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methylsulfamoyl]benzamide.
What is the SMILES notation for 4-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methylsulfamoyl]benzamide?
The canonical SMILES for 4-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methylsulfamoyl]benzamide is CCCN(CCC)C1CCc2ccc(CNS(=O)(=O)c3ccc(C(N)=O)cc3)cc2C1.
What is the InChIKey of 4-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methylsulfamoyl]benzamide?
The InChIKey is RMAPJYQSFMLKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-3-13-27(14-4-2)22-10-7-19-6-5-18(15-21(19)16-22)17-26-31(29,30)23-11-8-20(9-12-23)24(25)28/h5-6,8-9,11-12,15,22,26H,3-4,7,10,13-14,16-17H2,1-2H3,(H2,25,28).
What are the key properties of 4-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methylsulfamoyl]benzamide?
4-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methylsulfamoyl]benzamide has a molecular weight of 443.61 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methylsulfamoyl]benzamide is sourced from PubChem (CID 54273871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).