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

C20H21NO4S4 — CID 41193831

IUPACN-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H21NO4S4/c22-28(23,20-8-4-12-27-20)19(18-7-3-11-26-18)14-21-29(24,25)17-10-9-15-5-1-2-6-16(15)13-17/h3-4,7-13,19,21H,1-2,5-6,14H2/t19-/m0/s1
InChIKeyODQFPYBSQYYADD-IBGZPJMESA-N
MW467.66 g/mol
LogP4.18
Rot. Bonds7

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

N-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 41193831) has the molecular formula C20H21NO4S4 and a molecular weight of 467.66 g/mol. Its IUPAC name is N-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID41193831
Molecular FormulaC20H21NO4S4
Molecular Weight467.66 g/mol
Exact Mass467.04
IUPAC NameN-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H21NO4S4/c22-28(23,20-8-4-12-27-20)19(18-7-3-11-26-18)14-21-29(24,25)17-10-9-15-5-1-2-6-16(15)13-17/h3-4,7-13,19,21H,1-2,5-6,14H2/t19-/m0/s1
InChIKeyODQFPYBSQYYADD-IBGZPJMESA-N
XLogP4.18
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.66
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 51662774
N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 41193244
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110663311
4-fluoro-3-methyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 18574253
2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 16829668
N-(1-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 43001337
4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193494
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 50753525
3,4-dimethoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51453352
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 95983491
N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 129355139
N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-3,4-dimethylbenzenesulfonamide
CID 51449246

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 41193831) is N-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is ODQFPYBSQYYADD-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21NO4S4/c22-28(23,20-8-4-12-27-20)19(18-7-3-11-26-18)14-21-29(24,25)17-10-9-15-5-1-2-6-16(15)13-17/h3-4,7-13,19,21H,1-2,5-6,14H2/t19-/m0/s1.
What are the key properties of N-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 467.66 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 41193831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).