2-(1-benzothiophen-5-yl)-N-[3-(2,4-dimethylphenyl)-2-hydroxypropyl]acetamide

C21H23NO2S — CID 166369968

IUPAC2-(1-benzothiophen-5-yl)-N-[3-(2,4-dimethylphenyl)-2-hydroxypropyl]acetamide
SMILESCc1ccc(CC(O)CNC(=O)Cc2ccc3sccc3c2)c(C)c1
InChIInChI=1S/C21H23NO2S/c1-14-3-5-17(15(2)9-14)12-19(23)13-22-21(24)11-16-4-6-20-18(10-16)7-8-25-20/h3-10,19,23H,11-13H2,1-2H3,(H,22,24)
InChIKeyXGWTXLUCSXKLMB-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.78
Rot. Bonds6

About 2-(1-benzothiophen-5-yl)-N-[3-(2,4-dimethylphenyl)-2-hydroxypropyl]acetamide

2-(1-benzothiophen-5-yl)-N-[3-(2,4-dimethylphenyl)-2-hydroxypropyl]acetamide (PubChem CID 166369968) has the molecular formula C21H23NO2S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-(1-benzothiophen-5-yl)-N-[3-(2,4-dimethylphenyl)-2-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-(1-benzothiophen-5-yl)-N-[3-(2,4-dimethylphenyl)-2-hydroxypropyl]acetamide
PubChem CID166369968
Molecular FormulaC21H23NO2S
Molecular Weight353.49 g/mol
Exact Mass353.14
IUPAC Name2-(1-benzothiophen-5-yl)-N-[3-(2,4-dimethylphenyl)-2-hydroxypropyl]acetamide
SMILESCc1ccc(CC(O)CNC(=O)Cc2ccc3sccc3c2)c(C)c1
InChIInChI=1S/C21H23NO2S/c1-14-3-5-17(15(2)9-14)12-19(23)13-22-21(24)11-16-4-6-20-18(10-16)7-8-25-20/h3-10,19,23H,11-13H2,1-2H3,(H,22,24)
InChIKeyXGWTXLUCSXKLMB-UHFFFAOYSA-N
XLogP3.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-[[3-(2,4-dimethylphenyl)-2-hydroxypropyl]amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421645
2-(1-benzothiophen-5-yl)-N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]acetamide
CID 166370495
N-(1-benzothiophen-5-ylmethyl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131922995
N-(2-hydroxypropyl)-2-(4-methylphenyl)acetamide
CID 43418404
N-[(2R)-2-hydroxypropyl]-2-(4-methylphenyl)acetamide
CID 83032531
N-(2,3-dihydroxypropyl)-2-naphthalen-2-ylacetamide
CID 66175171
3-(2,4-dimethylphenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)propanamide
CID 110882806
N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)propanamide
CID 119995938
3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 78866814
N-[(2R)-2-hydroxypropyl]-2-naphthalen-2-ylacetamide
CID 83032079
[2-hydroxy-3-[[2-(3-methylquinolin-6-yl)acetyl]amino]propyl] acetate
CID 145441114
(2R)-3-(2,4-dimethylphenyl)-2-methylpropanoic acid
CID 96752041

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-5-yl)-N-[3-(2,4-dimethylphenyl)-2-hydroxypropyl]acetamide?
The IUPAC name of 2-(1-benzothiophen-5-yl)-N-[3-(2,4-dimethylphenyl)-2-hydroxypropyl]acetamide (CID 166369968) is 2-(1-benzothiophen-5-yl)-N-[3-(2,4-dimethylphenyl)-2-hydroxypropyl]acetamide.
What is the SMILES notation for 2-(1-benzothiophen-5-yl)-N-[3-(2,4-dimethylphenyl)-2-hydroxypropyl]acetamide?
The canonical SMILES for 2-(1-benzothiophen-5-yl)-N-[3-(2,4-dimethylphenyl)-2-hydroxypropyl]acetamide is Cc1ccc(CC(O)CNC(=O)Cc2ccc3sccc3c2)c(C)c1.
What is the InChIKey of 2-(1-benzothiophen-5-yl)-N-[3-(2,4-dimethylphenyl)-2-hydroxypropyl]acetamide?
The InChIKey is XGWTXLUCSXKLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2S/c1-14-3-5-17(15(2)9-14)12-19(23)13-22-21(24)11-16-4-6-20-18(10-16)7-8-25-20/h3-10,19,23H,11-13H2,1-2H3,(H,22,24).
What are the key properties of 2-(1-benzothiophen-5-yl)-N-[3-(2,4-dimethylphenyl)-2-hydroxypropyl]acetamide?
2-(1-benzothiophen-5-yl)-N-[3-(2,4-dimethylphenyl)-2-hydroxypropyl]acetamide has a molecular weight of 353.49 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-5-yl)-N-[3-(2,4-dimethylphenyl)-2-hydroxypropyl]acetamide is sourced from PubChem (CID 166369968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).