6-[5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfinamide

C23H27F3N2O3S — CID 143451554

IUPAC6-[5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfinamide
SMILESNS(=O)c1cc(C(=O)CCCCNCCc2ccccc2OC(F)(F)F)cc2c1CCC2
InChIInChI=1S/C23H27F3N2O3S/c24-23(25,26)31-21-10-2-1-6-16(21)11-13-28-12-4-3-9-20(29)18-14-17-7-5-8-19(17)22(15-18)32(27)30/h1-2,6,10,14-15,28H,3-5,7-9,11-13,27H2
InChIKeyPLHSHARVWDNXIV-UHFFFAOYSA-N
MW468.54 g/mol
LogP4.24
Rot. Bonds11

About 6-[5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfinamide

6-[5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfinamide (PubChem CID 143451554) has the molecular formula C23H27F3N2O3S and a molecular weight of 468.54 g/mol. Its IUPAC name is 6-[5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfinamide.

Molecular Properties

Compound Name6-[5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfinamide
PubChem CID143451554
Molecular FormulaC23H27F3N2O3S
Molecular Weight468.54 g/mol
Exact Mass468.17
IUPAC Name6-[5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfinamide
SMILESNS(=O)c1cc(C(=O)CCCCNCCc2ccccc2OC(F)(F)F)cc2c1CCC2
InChIInChI=1S/C23H27F3N2O3S/c24-23(25,26)31-21-10-2-1-6-16(21)11-13-28-12-4-3-9-20(29)18-14-17-7-5-8-19(17)22(15-18)32(27)30/h1-2,6,10,14-15,28H,3-5,7-9,11-13,27H2
InChIKeyPLHSHARVWDNXIV-UHFFFAOYSA-N
XLogP4.24
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-5-[5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]pentanoyl]-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 69400630
6-[5-[2-(2-chlorophenyl)ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfonamide;hydrochloride
CID 69416851
7-[5-[2-(2-methoxyphenyl)ethylamino]pentanoyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;hydrochloride
CID 139974709
1-(1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-6-[(2-methoxyphenyl)methylamino]hexan-1-one
CID 141069011
tert-butyl N-[2-(2-methoxyphenyl)ethyl]-N-[5-oxo-5-(8-sulfinamoyl-3,4-dihydro-2H-chromen-6-yl)pentyl]carbamate
CID 142261001
[5-[7-(methylsulfamoyl)-2,3-dihydro-1-benzofuran-5-yl]-5-oxopentyl]-[2-[2-(trifluoromethoxy)phenyl]ethyl]carbamic acid
CID 69400814
2-[2-(trifluoromethoxy)phenyl]ethyl N-[5-(7-acetamido-2,3-dihydro-1-benzofuran-5-yl)-5-oxopentyl]-N-tert-butylcarbamate
CID 91347000
6-[5-[2-(2-chlorophenyl)ethylamino]pentanoyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 162338347
1,5-bis[2-(trifluoromethoxy)phenyl]pentan-3-one
CID 174483817
tert-butyl N-[5-oxo-5-[7-(propan-2-ylsulfamoyl)-2,3-dihydro-1-benzofuran-5-yl]pentyl]-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]carbamate
CID 58870462
3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 120502341
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide
CID 31115610

Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfinamide?
The IUPAC name of 6-[5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfinamide (CID 143451554) is 6-[5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfinamide.
What is the SMILES notation for 6-[5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfinamide?
The canonical SMILES for 6-[5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfinamide is NS(=O)c1cc(C(=O)CCCCNCCc2ccccc2OC(F)(F)F)cc2c1CCC2.
What is the InChIKey of 6-[5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfinamide?
The InChIKey is PLHSHARVWDNXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O3S/c24-23(25,26)31-21-10-2-1-6-16(21)11-13-28-12-4-3-9-20(29)18-14-17-7-5-8-19(17)22(15-18)32(27)30/h1-2,6,10,14-15,28H,3-5,7-9,11-13,27H2.
What are the key properties of 6-[5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfinamide?
6-[5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfinamide has a molecular weight of 468.54 g/mol, XLogP of 4.24, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfinamide is sourced from PubChem (CID 143451554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).