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

C20H22N2O2S — CID 91151925

IUPACN-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide
SMILESCC(C)S(=O)NC1CCc2cc(COc3ccccc3C#N)ccc21
InChIInChI=1S/C20H22N2O2S/c1-14(2)25(23)22-19-10-8-16-11-15(7-9-18(16)19)13-24-20-6-4-3-5-17(20)12-21/h3-7,9,11,14,19,22H,8,10,13H2,1-2H3
InChIKeySVDHCVPUQGAZDD-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.79
Rot. Bonds6

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

N-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide (PubChem CID 91151925) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide.

Molecular Properties

Compound NameN-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide
PubChem CID91151925
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide
SMILESCC(C)S(=O)NC1CCc2cc(COc3ccccc3C#N)ccc21
InChIInChI=1S/C20H22N2O2S/c1-14(2)25(23)22-19-10-8-16-11-15(7-9-18(16)19)13-24-20-6-4-3-5-17(20)12-21/h3-7,9,11,14,19,22H,8,10,13H2,1-2H3
InChIKeySVDHCVPUQGAZDD-UHFFFAOYSA-N
XLogP3.79
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-sulfinamide?
The IUPAC name of N-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide (CID 91151925) is N-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide.
What is the SMILES notation for N-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide?
The canonical SMILES for N-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide is CC(C)S(=O)NC1CCc2cc(COc3ccccc3C#N)ccc21.
What is the InChIKey of N-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide?
The InChIKey is SVDHCVPUQGAZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-14(2)25(23)22-19-10-8-16-11-15(7-9-18(16)19)13-24-20-6-4-3-5-17(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-sulfinamide?
N-[5-[(2-cyanophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide has a molecular weight of 354.48 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 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-sulfinamide is sourced from PubChem (CID 91151925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).