N-[2,3-dihydro-1H-inden-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide

C18H22N2O2S — CID 75377237

IUPACN-[2,3-dihydro-1H-inden-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide
SMILESCCN(C(c1cccnc1)c1ccc2c(c1)CCC2)S(C)(=O)=O
InChIInChI=1S/C18H22N2O2S/c1-3-20(23(2,21)22)18(17-8-5-11-19-13-17)16-10-9-14-6-4-7-15(14)12-16/h5,8-13,18H,3-4,6-7H2,1-2H3
InChIKeyDHODYRMTCUJIRF-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.94
Rot. Bonds5

About N-[2,3-dihydro-1H-inden-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide

N-[2,3-dihydro-1H-inden-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide (PubChem CID 75377237) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[2,3-dihydro-1H-inden-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[2,3-dihydro-1H-inden-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide
PubChem CID75377237
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[2,3-dihydro-1H-inden-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide
SMILESCCN(C(c1cccnc1)c1ccc2c(c1)CCC2)S(C)(=O)=O
InChIInChI=1S/C18H22N2O2S/c1-3-20(23(2,21)22)18(17-8-5-11-19-13-17)16-10-9-14-6-4-7-15(14)12-16/h5,8-13,18H,3-4,6-7H2,1-2H3
InChIKeyDHODYRMTCUJIRF-UHFFFAOYSA-N
XLogP2.94
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2,3-dihydro-1H-inden-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1H-inden-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[2,3-dihydro-1H-inden-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide (CID 75377237) is N-[2,3-dihydro-1H-inden-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[2,3-dihydro-1H-inden-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[2,3-dihydro-1H-inden-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide is CCN(C(c1cccnc1)c1ccc2c(c1)CCC2)S(C)(=O)=O.
What is the InChIKey of N-[2,3-dihydro-1H-inden-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide?
The InChIKey is DHODYRMTCUJIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-3-20(23(2,21)22)18(17-8-5-11-19-13-17)16-10-9-14-6-4-7-15(14)12-16/h5,8-13,18H,3-4,6-7H2,1-2H3.
What are the key properties of N-[2,3-dihydro-1H-inden-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide?
N-[2,3-dihydro-1H-inden-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide has a molecular weight of 330.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1H-inden-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 75377237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).