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

C14H17NO2S — CID 121179337

IUPACN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(O)c1csc2ccccc12
InChIInChI=1S/C14H17NO2S/c1-9(2)14(17)15-7-12(16)11-8-18-13-6-4-3-5-10(11)13/h3-6,8-9,12,16H,7H2,1-2H3,(H,15,17)
InChIKeyJPAOYCCIZOBVKO-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.71
Rot. Bonds4

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

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide (PubChem CID 121179337) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide
PubChem CID121179337
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(O)c1csc2ccccc12
InChIInChI=1S/C14H17NO2S/c1-9(2)14(17)15-7-12(16)11-8-18-13-6-4-3-5-10(11)13/h3-6,8-9,12,16H,7H2,1-2H3,(H,15,17)
InChIKeyJPAOYCCIZOBVKO-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide
CID 100724295
1-(1-benzothiophen-3-yl)-2-(2-methylpropylamino)ethanol
CID 62773751
[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-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide
CID 100725327
N'-(4-acetamidophenyl)-N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxamide
CID 121179642
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzamide
CID 100724458
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 100724264
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(3-methylphenyl)oxamide
CID 121179601
methyl (3S)-3-(1-benzothiophen-3-yl)-3-hydroxypropanoate
CID 102175267
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-phenylmethoxyacetamide
CID 121179497
1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-[(4-chlorophenyl)methyl]urea
CID 100727077

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide (CID 121179337) is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide is CC(C)C(=O)NCC(O)c1csc2ccccc12.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide?
The InChIKey is JPAOYCCIZOBVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-9(2)14(17)15-7-12(16)11-8-18-13-6-4-3-5-10(11)13/h3-6,8-9,12,16H,7H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide?
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide has a molecular weight of 263.36 g/mol, XLogP of 2.71, 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)-2-hydroxyethyl]-2-methylpropanamide is sourced from PubChem (CID 121179337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).