(E)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide

C18H17NO3S3 — CID 71804669

IUPAC(E)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NCc1ccc(C(O)c2cccs2)s1
InChIInChI=1S/C18H17NO3S3/c20-18(16-7-4-11-23-16)17-9-8-15(24-17)13-19-25(21,22)12-10-14-5-2-1-3-6-14/h1-12,18-20H,13H2/b12-10+
InChIKeyUSCAYAIOMQJKGM-ZRDIBKRKSA-N
MW391.54 g/mol
LogP3.98
Rot. Bonds7

About (E)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide

(E)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide (PubChem CID 71804669) has the molecular formula C18H17NO3S3 and a molecular weight of 391.54 g/mol. Its IUPAC name is (E)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide
PubChem CID71804669
Molecular FormulaC18H17NO3S3
Molecular Weight391.54 g/mol
Exact Mass391.04
IUPAC Name(E)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NCc1ccc(C(O)c2cccs2)s1
InChIInChI=1S/C18H17NO3S3/c20-18(16-7-4-11-23-16)17-9-8-15(24-17)13-19-25(21,22)12-10-14-5-2-1-3-6-14/h1-12,18-20H,13H2/b12-10+
InChIKeyUSCAYAIOMQJKGM-ZRDIBKRKSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Benzenemethanol, alpha-(1-((3,3-di-3-thienyl-2-propenyl)amino)ethyl)-, (R-(R*,S*))-
CID 3033341
[3-(Aminomethyl)-2-thienyl](phenyl)methanol
CID 56663483
1-(4-fluorophenyl)-N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)methanesulfonamide
CID 56764045
4-fluoro-N-({5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl}methyl)-2-methylbenzene-1-sulfonamide
CID 71804671
[5-(Aminomethyl)-2-thienyl](2-thienyl)methanol
CID 71778092
N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)thiophene-2-sulfonamide
CID 71781697
N-({5-[Hydroxy(thiophen-2-YL)methyl]thiophen-2-YL}methyl)cyclopropanesulfonamide
CID 71804667
N-((5-(hydroxy(thiophen-3-yl)methyl)thiophen-2-yl)methyl)thiophene-2-sulfonamide
CID 73167876
N-((5-(hydroxy(thiophen-3-yl)methyl)thiophen-2-yl)methyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 73167877
5-chloro-N-((5-(hydroxy(phenyl)methyl)thiophen-2-yl)methyl)thiophene-2-sulfonamide
CID 73167917
(E)-N-(3-hydroxy-3-(thiophen-3-yl)propyl)-2-phenylethenesulfonamide
CID 86264126
N-(3-hydroxy-3-(thiophen-3-yl)propyl)-2-phenylethanesulfonamide
CID 86264127

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide (CID 71804669) is (E)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)NCc1ccc(C(O)c2cccs2)s1.
What is the InChIKey of (E)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide?
The InChIKey is USCAYAIOMQJKGM-ZRDIBKRKSA-N. The full InChI is InChI=1S/C18H17NO3S3/c20-18(16-7-4-11-23-16)17-9-8-15(24-17)13-19-25(21,22)12-10-14-5-2-1-3-6-14/h1-12,18-20H,13H2/b12-10+.
What are the key properties of (E)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide?
(E)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide has a molecular weight of 391.54 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 71804669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).