4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide

C22H25NO4S3 — CID 51662803

IUPAC4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C22H25NO4S3/c1-22(2,3)18-11-13-19(14-12-18)30(26,27)23-16-20(17-8-5-4-6-9-17)29(24,25)21-10-7-15-28-21/h4-15,20,23H,16H2,1-3H3/t20-/m0/s1
InChIKeyFLVLAACVLJNHEN-FQEVSTJZSA-N
MW463.65 g/mol
LogP4.54
Rot. Bonds7

About 4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide

4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide (PubChem CID 51662803) has the molecular formula C22H25NO4S3 and a molecular weight of 463.65 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
PubChem CID51662803
Molecular FormulaC22H25NO4S3
Molecular Weight463.65 g/mol
Exact Mass463.09
IUPAC Name4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C22H25NO4S3/c1-22(2,3)18-11-13-19(14-12-18)30(26,27)23-16-20(17-8-5-4-6-9-17)29(24,25)21-10-7-15-28-21/h4-15,20,23H,16H2,1-3H3/t20-/m0/s1
InChIKeyFLVLAACVLJNHEN-FQEVSTJZSA-N
XLogP4.54
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.65
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51453352
2-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51662811
N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 51662774
4-cyclopentyloxy-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51662791
N-(ethylsulfamoyl)-2-phenyl-2-thiophen-2-ylsulfonylethanamine
CID 110605719
4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 50753608
4-methyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 40903607
4-methyl-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 20995693
4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 44648994
N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-4-phenylbenzenesulfonamide
CID 41193256
N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-3,4-dimethylbenzenesulfonamide
CID 51449246
4-propan-2-yloxy-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 21007549

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide (CID 51662803) is 4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide?
The InChIKey is FLVLAACVLJNHEN-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25NO4S3/c1-22(2,3)18-11-13-19(14-12-18)30(26,27)23-16-20(17-8-5-4-6-9-17)29(24,25)21-10-7-15-28-21/h4-15,20,23H,16H2,1-3H3/t20-/m0/s1.
What are the key properties of 4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide?
4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide has a molecular weight of 463.65 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide is sourced from PubChem (CID 51662803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).