N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

C21H23F3N2O5S — CID 55953287

IUPACN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C21H23F3N2O5S/c22-21(23,24)31-17-6-8-19(9-7-17)32(28,29)26-11-10-20(27)25-12-13-30-18-5-4-15-2-1-3-16(15)14-18/h4-9,14,26H,1-3,10-13H2,(H,25,27)
InChIKeyRHEACNLBFIBYFL-UHFFFAOYSA-N
MW472.49 g/mol
LogP2.94
Rot. Bonds10

About N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (PubChem CID 55953287) has the molecular formula C21H23F3N2O5S and a molecular weight of 472.49 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
PubChem CID55953287
Molecular FormulaC21H23F3N2O5S
Molecular Weight472.49 g/mol
Exact Mass472.13
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C21H23F3N2O5S/c22-21(23,24)31-17-6-8-19(9-7-17)32(28,29)26-11-10-20(27)25-12-13-30-18-5-4-15-2-1-3-16(15)14-18/h4-9,14,26H,1-3,10-13H2,(H,25,27)
InChIKeyRHEACNLBFIBYFL-UHFFFAOYSA-N
XLogP2.94
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (CID 55953287) is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCCOc1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The InChIKey is RHEACNLBFIBYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O5S/c22-21(23,24)31-17-6-8-19(9-7-17)32(28,29)26-11-10-20(27)25-12-13-30-18-5-4-15-2-1-3-16(15)14-18/h4-9,14,26H,1-3,10-13H2,(H,25,27).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide has a molecular weight of 472.49 g/mol, XLogP of 2.94, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 55953287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).