N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxy-3-methoxybenzamide

C18H17NO3S — CID 87005563

IUPACN-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCc2csc3ccccc23)c1O
InChIInChI=1S/C18H17NO3S/c1-22-15-7-4-6-14(17(15)20)18(21)19-10-9-12-11-23-16-8-3-2-5-13(12)16/h2-8,11,20H,9-10H2,1H3,(H,19,21)
InChIKeyVJKDXFYRZMRMLJ-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.59
Rot. Bonds5

About N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxy-3-methoxybenzamide

N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxy-3-methoxybenzamide (PubChem CID 87005563) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxy-3-methoxybenzamide
PubChem CID87005563
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCc2csc3ccccc23)c1O
InChIInChI=1S/C18H17NO3S/c1-22-15-7-4-6-14(17(15)20)18(21)19-10-9-12-11-23-16-8-3-2-5-13(12)16/h2-8,11,20H,9-10H2,1H3,(H,19,21)
InChIKeyVJKDXFYRZMRMLJ-UHFFFAOYSA-N
XLogP3.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane
CID 161370454
methyl 4-[2-(1-benzothiophen-3-yl)ethylcarbamoyl]benzoate
CID 87005569
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-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87005767
N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide
CID 87005596
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]-5-bromo-2-fluorobenzamide
CID 112836987
N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide
CID 62656877
N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide
CID 115139367
2-[(2-hydroxy-3-methoxybenzoyl)amino]ethyl carbamate
CID 83203383

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxy-3-methoxybenzamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxy-3-methoxybenzamide (CID 87005563) is N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxy-3-methoxybenzamide is COc1cccc(C(=O)NCCc2csc3ccccc23)c1O.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxy-3-methoxybenzamide?
The InChIKey is VJKDXFYRZMRMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-22-15-7-4-6-14(17(15)20)18(21)19-10-9-12-11-23-16-8-3-2-5-13(12)16/h2-8,11,20H,9-10H2,1H3,(H,19,21).
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxy-3-methoxybenzamide?
N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxy-3-methoxybenzamide has a molecular weight of 327.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 87005563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).