(E)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide

C18H17NO3S3 — CID 121133865

IUPAC(E)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NCc1ccc(C(O)c2ccsc2)s1
InChIInChI=1S/C18H17NO3S3/c20-18(15-8-10-23-13-15)17-7-6-16(24-17)12-19-25(21,22)11-9-14-4-2-1-3-5-14/h1-11,13,18-20H,12H2/b11-9+
InChIKeyAZHWWNKZWNPONY-PKNBQFBNSA-N
MW391.54 g/mol
LogP3.98
Rot. Bonds7

About (E)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide

(E)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide (PubChem CID 121133865) has the molecular formula C18H17NO3S3 and a molecular weight of 391.54 g/mol. Its IUPAC name is (E)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide
PubChem CID121133865
Molecular FormulaC18H17NO3S3
Molecular Weight391.54 g/mol
Exact Mass391.04
IUPAC Name(E)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NCc1ccc(C(O)c2ccsc2)s1
InChIInChI=1S/C18H17NO3S3/c20-18(15-8-10-23-13-15)17-7-6-16(24-17)12-19-25(21,22)11-9-14-4-2-1-3-5-14/h1-11,13,18-20H,12H2/b11-9+
InChIKeyAZHWWNKZWNPONY-PKNBQFBNSA-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

5-chloro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide
CID 121133888
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 121133913
1-(3-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]methanesulfonamide
CID 121133907
2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 121133885
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 121133870
2-benzylsulfanyl-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 121133787
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]ethanesulfonamide
CID 121134216
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-N'-(1-phenylethyl)oxamide
CID 121133968
2-(2-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 121133766
4-ethoxy-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,5-dimethylbenzenesulfonamide
CID 99882730
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 121133703
(E)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 121133837

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide (CID 121133865) is (E)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)NCc1ccc(C(O)c2ccsc2)s1.
What is the InChIKey of (E)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide?
The InChIKey is AZHWWNKZWNPONY-PKNBQFBNSA-N. The full InChI is InChI=1S/C18H17NO3S3/c20-18(15-8-10-23-13-15)17-7-6-16(24-17)12-19-25(21,22)11-9-14-4-2-1-3-5-14/h1-11,13,18-20H,12H2/b11-9+.
What are the key properties of (E)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide?
(E)-N-[[5-[hydroxy(thiophen-3-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-3-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 121133865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).