2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide

C16H19NO2S — CID 96570370

IUPAC2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
SMILESC[C@@H](Cc1cccs1)N(C)C(=O)Cc1ccccc1O
InChIInChI=1S/C16H19NO2S/c1-12(10-14-7-5-9-20-14)17(2)16(19)11-13-6-3-4-8-15(13)18/h3-9,12,18H,10-11H2,1-2H3/t12-/m0/s1
InChIKeyYVPMVBLKGGQJHE-LBPRGKRZSA-N
MW289.40 g/mol
LogP3.09
Rot. Bonds5

About 2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide

2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide (PubChem CID 96570370) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
PubChem CID96570370
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
SMILESC[C@@H](Cc1cccs1)N(C)C(=O)Cc1ccccc1O
InChIInChI=1S/C16H19NO2S/c1-12(10-14-7-5-9-20-14)17(2)16(19)11-13-6-3-4-8-15(13)18/h3-9,12,18H,10-11H2,1-2H3/t12-/m0/s1
InChIKeyYVPMVBLKGGQJHE-LBPRGKRZSA-N
XLogP3.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
N-(1-bromopropan-2-yl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 104556210
(2R)-2-amino-N-methyl-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 79494338
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 54913397
2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79493991
2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid
CID 79488505
3-methoxy-4-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 103159623
4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
CID 79488943
6-amino-N,4,4-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)hexanamide
CID 79494026
3-ethyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 115673594
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
[2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]phenyl]boronic acid
CID 79486657

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide?
The IUPAC name of 2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide (CID 96570370) is 2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide is C[C@@H](Cc1cccs1)N(C)C(=O)Cc1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide?
The InChIKey is YVPMVBLKGGQJHE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12(10-14-7-5-9-20-14)17(2)16(19)11-13-6-3-4-8-15(13)18/h3-9,12,18H,10-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide?
2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide has a molecular weight of 289.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide is sourced from PubChem (CID 96570370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).