N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide

C14H20N2O3S — CID 11529486

IUPACN-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide
SMILESCCCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1
InChIInChI=1S/C14H20N2O3S/c1-2-3-4-14(17)16-12-7-10-5-6-13(20(15,18)19)9-11(10)8-12/h5-6,9,12H,2-4,7-8H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyVPKYLHQTQYEJLJ-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.11
Rot. Bonds5

About N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide

N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide (PubChem CID 11529486) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide.

Molecular Properties

Compound NameN-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide
PubChem CID11529486
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide
SMILESCCCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1
InChIInChI=1S/C14H20N2O3S/c1-2-3-4-14(17)16-12-7-10-5-6-13(20(15,18)19)9-11(10)8-12/h5-6,9,12H,2-4,7-8H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyVPKYLHQTQYEJLJ-UHFFFAOYSA-N
XLogP1.11
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide?
The IUPAC name of N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide (CID 11529486) is N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide.
What is the SMILES notation for N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide?
The canonical SMILES for N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide is CCCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1.
What is the InChIKey of N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide?
The InChIKey is VPKYLHQTQYEJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-3-4-14(17)16-12-7-10-5-6-13(20(15,18)19)9-11(10)8-12/h5-6,9,12H,2-4,7-8H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide?
N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide has a molecular weight of 296.39 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide is sourced from PubChem (CID 11529486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).