N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C22H23NO4S3 — CID 51662774

IUPACN-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NC[C@H](c1ccccc1)S(=O)(=O)c1cccs1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H23NO4S3/c24-29(25,22-11-6-14-28-22)21(18-8-2-1-3-9-18)16-23-30(26,27)20-13-12-17-7-4-5-10-19(17)15-20/h1-3,6,8-9,11-15,21,23H,4-5,7,10,16H2/t21-/m1/s1
InChIKeyJRYBFXURAGMCOR-OAQYLSRUSA-N
MW461.63 g/mol
LogP4.12
Rot. Bonds7

About N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 51662774) has the molecular formula C22H23NO4S3 and a molecular weight of 461.63 g/mol. Its IUPAC name is N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID51662774
Molecular FormulaC22H23NO4S3
Molecular Weight461.63 g/mol
Exact Mass461.08
IUPAC NameN-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NC[C@H](c1ccccc1)S(=O)(=O)c1cccs1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H23NO4S3/c24-29(25,22-11-6-14-28-22)21(18-8-2-1-3-9-18)16-23-30(26,27)20-13-12-17-7-4-5-10-19(17)15-20/h1-3,6,8-9,11-15,21,23H,4-5,7,10,16H2/t21-/m1/s1
InChIKeyJRYBFXURAGMCOR-OAQYLSRUSA-N
XLogP4.12
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 41193831
N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 41193244
3,4-dimethoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51453352
4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51662803
4-cyclopentyloxy-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51662791
N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 43001353
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 50753525
2-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51662811
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110663311
4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 44648994
N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-3,4-dimethylbenzenesulfonamide
CID 51449246
N-(ethylsulfamoyl)-2-phenyl-2-thiophen-2-ylsulfonylethanamine
CID 110605719

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 51662774) is N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(NC[C@H](c1ccccc1)S(=O)(=O)c1cccs1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is JRYBFXURAGMCOR-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H23NO4S3/c24-29(25,22-11-6-14-28-22)21(18-8-2-1-3-9-18)16-23-30(26,27)20-13-12-17-7-4-5-10-19(17)15-20/h1-3,6,8-9,11-15,21,23H,4-5,7,10,16H2/t21-/m1/s1.
What are the key properties of N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 461.63 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 51662774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).