2-(1-benzothiophen-5-ylamino)-1-(4-chlorophenyl)ethanol

C16H14ClNOS — CID 65474893

IUPAC2-(1-benzothiophen-5-ylamino)-1-(4-chlorophenyl)ethanol
SMILESOC(CNc1ccc2sccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNOS/c17-13-3-1-11(2-4-13)15(19)10-18-14-5-6-16-12(9-14)7-8-20-16/h1-9,15,18-19H,10H2
InChIKeyTUQWGOOBDRVEBO-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.70
Rot. Bonds4

About 2-(1-benzothiophen-5-ylamino)-1-(4-chlorophenyl)ethanol

2-(1-benzothiophen-5-ylamino)-1-(4-chlorophenyl)ethanol (PubChem CID 65474893) has the molecular formula C16H14ClNOS and a molecular weight of 303.81 g/mol. Its IUPAC name is 2-(1-benzothiophen-5-ylamino)-1-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(1-benzothiophen-5-ylamino)-1-(4-chlorophenyl)ethanol
PubChem CID65474893
Molecular FormulaC16H14ClNOS
Molecular Weight303.81 g/mol
Exact Mass303.05
IUPAC Name2-(1-benzothiophen-5-ylamino)-1-(4-chlorophenyl)ethanol
SMILESOC(CNc1ccc2sccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNOS/c17-13-3-1-11(2-4-13)15(19)10-18-14-5-6-16-12(9-14)7-8-20-16/h1-9,15,18-19H,10H2
InChIKeyTUQWGOOBDRVEBO-UHFFFAOYSA-N
XLogP4.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzothiophen-5-ylamino)-1-(4-chlorophenyl)ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-5-ylamino)-1-(4-chlorophenyl)ethanol?
The IUPAC name of 2-(1-benzothiophen-5-ylamino)-1-(4-chlorophenyl)ethanol (CID 65474893) is 2-(1-benzothiophen-5-ylamino)-1-(4-chlorophenyl)ethanol.
What is the SMILES notation for 2-(1-benzothiophen-5-ylamino)-1-(4-chlorophenyl)ethanol?
The canonical SMILES for 2-(1-benzothiophen-5-ylamino)-1-(4-chlorophenyl)ethanol is OC(CNc1ccc2sccc2c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(1-benzothiophen-5-ylamino)-1-(4-chlorophenyl)ethanol?
The InChIKey is TUQWGOOBDRVEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNOS/c17-13-3-1-11(2-4-13)15(19)10-18-14-5-6-16-12(9-14)7-8-20-16/h1-9,15,18-19H,10H2.
What are the key properties of 2-(1-benzothiophen-5-ylamino)-1-(4-chlorophenyl)ethanol?
2-(1-benzothiophen-5-ylamino)-1-(4-chlorophenyl)ethanol has a molecular weight of 303.81 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-5-ylamino)-1-(4-chlorophenyl)ethanol is sourced from PubChem (CID 65474893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).