N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide

C19H19NO3S — CID 86263942

IUPACN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide
SMILESCC(O)(CNC(=O)COc1ccccc1)c1cc2ccccc2s1
InChIInChI=1S/C19H19NO3S/c1-19(22,17-11-14-7-5-6-10-16(14)24-17)13-20-18(21)12-23-15-8-3-2-4-9-15/h2-11,22H,12-13H2,1H3,(H,20,21)
InChIKeyIBUGXAMECCPQTI-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.30
Rot. Bonds6

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

N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide (PubChem CID 86263942) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide
PubChem CID86263942
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide
SMILESCC(O)(CNC(=O)COc1ccccc1)c1cc2ccccc2s1
InChIInChI=1S/C19H19NO3S/c1-19(22,17-11-14-7-5-6-10-16(14)24-17)13-20-18(21)12-23-15-8-3-2-4-9-15/h2-11,22H,12-13H2,1H3,(H,20,21)
InChIKeyIBUGXAMECCPQTI-UHFFFAOYSA-N
XLogP3.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide
CID 99979783
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-naphthalen-1-ylacetamide
CID 99980052
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide
CID 86263964
1-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(4-ethoxyphenyl)urea
CID 99980812
1-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea
CID 99980805
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 99979795
N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide
CID 65114465
N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide
CID 66169825
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-cyclopentyloxamide
CID 99980583
2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
CID 95367989
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide
CID 99980288
N-[2,2-dimethyl-3-(methylamino)propyl]-2-phenoxyacetamide
CID 115267300

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide (CID 86263942) is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide is CC(O)(CNC(=O)COc1ccccc1)c1cc2ccccc2s1.
What is the InChIKey of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide?
The InChIKey is IBUGXAMECCPQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-19(22,17-11-14-7-5-6-10-16(14)24-17)13-20-18(21)12-23-15-8-3-2-4-9-15/h2-11,22H,12-13H2,1H3,(H,20,21).
What are the key properties of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide?
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide has a molecular weight of 341.43 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide is sourced from PubChem (CID 86263942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).