N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane

C18H19NO2S — CID 161370454

IUPACN-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane
SMILESC.O=C(NCCc1csc2ccccc12)c1ccccc1O
InChIInChI=1S/C17H15NO2S.CH4/c19-15-7-3-1-6-14(15)17(20)18-10-9-12-11-21-16-8-4-2-5-13(12)16;/h1-8,11,19H,9-10H2,(H,18,20);1H4
InChIKeyVQJWBRMXEDMPMJ-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.22
Rot. Bonds4

About N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane

N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane (PubChem CID 161370454) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane
PubChem CID161370454
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane
SMILESC.O=C(NCCc1csc2ccccc12)c1ccccc1O
InChIInChI=1S/C17H15NO2S.CH4/c19-15-7-3-1-6-14(15)17(20)18-10-9-12-11-21-16-8-4-2-5-13(12)16;/h1-8,11,19H,9-10H2,(H,18,20);1H4
InChIKeyVQJWBRMXEDMPMJ-UHFFFAOYSA-N
XLogP4.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane 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

N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxy-3-methoxybenzamide
CID 87005563
N-[2-(1-benzothiophen-3-yl)ethyl]-2,3,4,5-tetrafluorobenzamide
CID 112837021
N-[2-(1-benzothiophen-3-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 87005686
N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide
CID 87005596
N-[2-(1-benzothiophen-3-yl)ethyl]-5-bromo-2-fluorobenzamide
CID 112836987
methyl 4-[2-(1-benzothiophen-3-yl)ethylcarbamoyl]benzoate
CID 87005569
N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide
CID 115139367
N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide
CID 115172576
methyl 2-[2-(1-benzothiophen-3-yl)ethylamino]-2-oxoacetate
CID 115142581
methyl 5-[2-(1-benzothiophen-3-yl)ethylcarbamoyl]thiophene-2-carboxylate
CID 87020534
N-[2-(1-benzothiophen-3-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 87020519
1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296493

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane (CID 161370454) is N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane is C.O=C(NCCc1csc2ccccc12)c1ccccc1O.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane?
The InChIKey is VQJWBRMXEDMPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S.CH4/c19-15-7-3-1-6-14(15)17(20)18-10-9-12-11-21-16-8-4-2-5-13(12)16;/h1-8,11,19H,9-10H2,(H,18,20);1H4.
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane?
N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane has a molecular weight of 313.42 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane is sourced from PubChem (CID 161370454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).