N-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide

C20H22N2O3S — CID 46935768

IUPACN-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCc2cc(COc3ccccc3C#N)ccc21
InChIInChI=1S/C20H22N2O3S/c1-14(2)26(23,24)22-19-10-8-16-11-15(7-9-18(16)19)13-25-20-6-4-3-5-17(20)12-21/h3-7,9,11,14,19,22H,8,10,13H2,1-2H3
InChIKeyGGOVADLDMPXIGG-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.45
Rot. Bonds6

About N-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide

N-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide (PubChem CID 46935768) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide
PubChem CID46935768
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCc2cc(COc3ccccc3C#N)ccc21
InChIInChI=1S/C20H22N2O3S/c1-14(2)26(23,24)22-19-10-8-16-11-15(7-9-18(16)19)13-25-20-6-4-3-5-17(20)12-21/h3-7,9,11,14,19,22H,8,10,13H2,1-2H3
InChIKeyGGOVADLDMPXIGG-UHFFFAOYSA-N
XLogP3.45
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide?
The IUPAC name of N-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide (CID 46935768) is N-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide?
The canonical SMILES for N-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCc2cc(COc3ccccc3C#N)ccc21.
What is the InChIKey of N-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide?
The InChIKey is GGOVADLDMPXIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-14(2)26(23,24)22-19-10-8-16-11-15(7-9-18(16)19)13-25-20-6-4-3-5-17(20)12-21/h3-7,9,11,14,19,22H,8,10,13H2,1-2H3.
What are the key properties of N-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide?
N-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide has a molecular weight of 370.47 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide is sourced from PubChem (CID 46935768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).