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

C20H21NO5S3 — CID 41193244

IUPACN-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NC[C@H](c1ccco1)S(=O)(=O)c1cccs1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H21NO5S3/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-/m1/s1
InChIKeyAECLZWQFFBIBER-LJQANCHMSA-N
MW451.59 g/mol
LogP3.71
Rot. Bonds7

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

N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 41193244) has the molecular formula C20H21NO5S3 and a molecular weight of 451.59 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID41193244
Molecular FormulaC20H21NO5S3
Molecular Weight451.59 g/mol
Exact Mass451.06
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NC[C@H](c1ccco1)S(=O)(=O)c1cccs1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H21NO5S3/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-/m1/s1
InChIKeyAECLZWQFFBIBER-LJQANCHMSA-N
XLogP3.71
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 51662774
4-bromo-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 18574164
N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-phenylbenzenesulfonamide
CID 41193256
N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-nitrobenzenesulfonamide
CID 18574167
N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethylbenzenesulfonamide
CID 41193242
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110663311
5-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxybenzenesulfonamide
CID 40775212
1-cyclohexyl-3-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]urea
CID 110315206
N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]butanamide
CID 7268311
N'-cyclopropyl-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584668
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 50753525

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 41193244) is N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(NC[C@H](c1ccco1)S(=O)(=O)c1cccs1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is AECLZWQFFBIBER-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21NO5S3/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-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 451.59 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 41193244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).