(E)-N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenylethenesulfonamide

C19H19NO3S2 — CID 86264007

IUPAC(E)-N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenylethenesulfonamide
SMILESCC(O)(CNS(=O)(=O)/C=C/c1ccccc1)c1cc2ccccc2s1
InChIInChI=1S/C19H19NO3S2/c1-19(21,18-13-16-9-5-6-10-17(16)24-18)14-20-25(22,23)12-11-15-7-3-2-4-8-15/h2-13,20-21H,14H2,1H3/b12-11+
InChIKeyOYDBDGNHAUWUDP-VAWYXSNFSA-N
MW373.50 g/mol
LogP3.70
Rot. Bonds6

About (E)-N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenylethenesulfonamide

(E)-N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenylethenesulfonamide (PubChem CID 86264007) has the molecular formula C19H19NO3S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (E)-N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenylethenesulfonamide
PubChem CID86264007
Molecular FormulaC19H19NO3S2
Molecular Weight373.50 g/mol
Exact Mass373.08
IUPAC Name(E)-N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenylethenesulfonamide
SMILESCC(O)(CNS(=O)(=O)/C=C/c1ccccc1)c1cc2ccccc2s1
InChIInChI=1S/C19H19NO3S2/c1-19(21,18-13-16-9-5-6-10-17(16)24-18)14-20-25(22,23)12-11-15-7-3-2-4-8-15/h2-13,20-21H,14H2,1H3/b12-11+
InChIKeyOYDBDGNHAUWUDP-VAWYXSNFSA-N
XLogP3.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(Dimethylsulfamoylamino)-1-hydroxyethyl]-1-benzothiophene
CID 71967723
2-[2-[[Ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-1-benzothiophene
CID 84589582
(S)-2-(1-benzothiophen-2-yl)-1-(o-fluorophenylsulfonylamino)-2-propanol
CID 99980328
1-Amino-2-(benzo[b]thiophen-2-yl)propan-2-ol
CID 86261786
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-5-methylthiophene-2-sulfonamide
CID 86264006
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-5-chloro-2-methylbenzenesulfonamide
CID 86264014
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)cyclopropanesulfonamide
CID 91630875
(S)-1-cyclopropyl-2-(5-ethyl-2-thienylsulfonylamino)-1-phenyl-1-ethanol
CID 95379496
N-[(S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl](benzylthio)acetamide
CID 99980026
N-[(S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]3-(phenylthio)propionamide
CID 99980040
(S)-2-(1-benzothiophen-2-yl)-1-(mesylamino)-2-propanol
CID 99980291
(S)-2-(1-benzothiophen-2-yl)-1-(5,6,7,8-tetrahydro-2-naphthylsulfonylamino)-2-propanol
CID 99980417

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenylethenesulfonamide (CID 86264007) is (E)-N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenylethenesulfonamide is CC(O)(CNS(=O)(=O)/C=C/c1ccccc1)c1cc2ccccc2s1.
What is the InChIKey of (E)-N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenylethenesulfonamide?
The InChIKey is OYDBDGNHAUWUDP-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H19NO3S2/c1-19(21,18-13-16-9-5-6-10-17(16)24-18)14-20-25(22,23)12-11-15-7-3-2-4-8-15/h2-13,20-21H,14H2,1H3/b12-11+.
What are the key properties of (E)-N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenylethenesulfonamide?
(E)-N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenylethenesulfonamide has a molecular weight of 373.50 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 86264007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).