(E)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylethenesulfonamide

C18H17NO3S3 — CID 124878567

IUPAC(E)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NC[C@](O)(c1ccsc1)c1cccs1
InChIInChI=1S/C18H17NO3S3/c20-18(16-8-11-23-13-16,17-7-4-10-24-17)14-19-25(21,22)12-9-15-5-2-1-3-6-15/h1-13,19-20H,14H2/b12-9+/t18-/m0/s1
InChIKeyZNHHXKWPLFACJS-PEKVBPLLSA-N
MW391.54 g/mol
LogP3.64
Rot. Bonds7

About (E)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylethenesulfonamide

(E)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylethenesulfonamide (PubChem CID 124878567) has the molecular formula C18H17NO3S3 and a molecular weight of 391.54 g/mol. Its IUPAC name is (E)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylethenesulfonamide
PubChem CID124878567
Molecular FormulaC18H17NO3S3
Molecular Weight391.54 g/mol
Exact Mass391.04
IUPAC Name(E)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NC[C@](O)(c1ccsc1)c1cccs1
InChIInChI=1S/C18H17NO3S3/c20-18(16-8-11-23-13-16,17-7-4-10-24-17)14-19-25(21,22)12-9-15-5-2-1-3-6-15/h1-13,19-20H,14H2/b12-9+/t18-/m0/s1
InChIKeyZNHHXKWPLFACJS-PEKVBPLLSA-N
XLogP3.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (E)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylethenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-phenylethenesulfonamide
CID 117054904
(E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenylethenesulfonamide
CID 90500202
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 124760232
N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 124760233
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 121170241
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-nitrobenzenesulfonamide
CID 121170212
4-acetyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 121170202
4-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 129417818
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-propan-2-ylbenzenesulfonamide
CID 121170206
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
CID 124760669
1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)methanesulfonamide
CID 121170190
1-(1,2-benzoxazol-3-yl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)methanesulfonamide
CID 126852474

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylethenesulfonamide (CID 124878567) is (E)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)NC[C@](O)(c1ccsc1)c1cccs1.
What is the InChIKey of (E)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylethenesulfonamide?
The InChIKey is ZNHHXKWPLFACJS-PEKVBPLLSA-N. The full InChI is InChI=1S/C18H17NO3S3/c20-18(16-8-11-23-13-16,17-7-4-10-24-17)14-19-25(21,22)12-9-15-5-2-1-3-6-15/h1-13,19-20H,14H2/b12-9+/t18-/m0/s1.
What are the key properties of (E)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylethenesulfonamide?
(E)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylethenesulfonamide has a molecular weight of 391.54 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 124878567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).