N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-phenylmethoxyacetamide

C19H19NO3S — CID 121179497

IUPACN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)NCC(O)c1csc2ccccc12
InChIInChI=1S/C19H19NO3S/c21-17(16-13-24-18-9-5-4-8-15(16)18)10-20-19(22)12-23-11-14-6-2-1-3-7-14/h1-9,13,17,21H,10-12H2,(H,20,22)
InChIKeyUAGFQUQPZZOYQC-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.27
Rot. Bonds7

About N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-phenylmethoxyacetamide

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-phenylmethoxyacetamide (PubChem CID 121179497) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-phenylmethoxyacetamide
PubChem CID121179497
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)NCC(O)c1csc2ccccc12
InChIInChI=1S/C19H19NO3S/c21-17(16-13-24-18-9-5-4-8-15(16)18)10-20-19(22)12-23-11-14-6-2-1-3-7-14/h1-9,13,17,21H,10-12H2,(H,20,22)
InChIKeyUAGFQUQPZZOYQC-UHFFFAOYSA-N
XLogP3.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]amino]-2-oxoethyl] acetate
CID 91630866
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide
CID 121179488
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-chlorophenoxy)acetamide
CID 100724869
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide
CID 100724295
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(3-chlorophenyl)propanamide
CID 121179489
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide
CID 121179337
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide
CID 100725327
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-cyclopentylsulfanylacetamide
CID 91630824
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 100724264
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 100724436
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-phenoxybenzamide
CID 121179463
N-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide
CID 66177316

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-phenylmethoxyacetamide (CID 121179497) is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-phenylmethoxyacetamide is O=C(COCc1ccccc1)NCC(O)c1csc2ccccc12.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-phenylmethoxyacetamide?
The InChIKey is UAGFQUQPZZOYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c21-17(16-13-24-18-9-5-4-8-15(16)18)10-20-19(22)12-23-11-14-6-2-1-3-7-14/h1-9,13,17,21H,10-12H2,(H,20,22).
What are the key properties of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-phenylmethoxyacetamide?
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-phenylmethoxyacetamide has a molecular weight of 341.43 g/mol, XLogP of 3.27, 7 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)-2-hydroxyethyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 121179497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).