N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-phenylbenzenesulfonamide

C22H19NO5S3 — CID 41193256

IUPACN-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19NO5S3/c24-30(25,22-9-5-15-29-22)21(20-8-4-14-28-20)16-23-31(26,27)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-15,21,23H,16H2/t21-/m0/s1
InChIKeyJBUOVAWIHKQLRK-NRFANRHFSA-N
MW473.60 g/mol
LogP4.50
Rot. Bonds8

About N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-phenylbenzenesulfonamide

N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-phenylbenzenesulfonamide (PubChem CID 41193256) has the molecular formula C22H19NO5S3 and a molecular weight of 473.60 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-phenylbenzenesulfonamide
PubChem CID41193256
Molecular FormulaC22H19NO5S3
Molecular Weight473.60 g/mol
Exact Mass473.04
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19NO5S3/c24-30(25,22-9-5-15-29-22)21(20-8-4-14-28-20)16-23-31(26,27)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-15,21,23H,16H2/t21-/m0/s1
InChIKeyJBUOVAWIHKQLRK-NRFANRHFSA-N
XLogP4.50
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 18574164
N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-nitrobenzenesulfonamide
CID 18574167
N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 41193244
N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethylbenzenesulfonamide
CID 41193242
4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51662803
5-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxybenzenesulfonamide
CID 40775212
N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-phenoxybenzenesulfonamide
CID 41193070
N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]butanamide
CID 7268311
N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(3-phenylpropyl)oxamide
CID 27558122
3,4-dimethoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51453352
4-chloro-N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 7268351
N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 27569543

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-phenylbenzenesulfonamide (CID 41193256) is N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-phenylbenzenesulfonamide is O=S(=O)(NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-phenylbenzenesulfonamide?
The InChIKey is JBUOVAWIHKQLRK-NRFANRHFSA-N. The full InChI is InChI=1S/C22H19NO5S3/c24-30(25,22-9-5-15-29-22)21(20-8-4-14-28-20)16-23-31(26,27)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-15,21,23H,16H2/t21-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-phenylbenzenesulfonamide?
N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-phenylbenzenesulfonamide has a molecular weight of 473.60 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 41193256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).