2-(3-hydroxy-4-methylphenyl)-N-methyl-N-(1-methylsulfinylpropan-2-yl)acetamide

C14H21NO3S — CID 154752939

IUPAC2-(3-hydroxy-4-methylphenyl)-N-methyl-N-(1-methylsulfinylpropan-2-yl)acetamide
SMILESCc1ccc(CC(=O)N(C)C(C)CS(C)=O)cc1O
InChIInChI=1S/C14H21NO3S/c1-10-5-6-12(7-13(10)16)8-14(17)15(3)11(2)9-19(4)18/h5-7,11,16H,8-9H2,1-4H3
InChIKeyAIFKLGLEABCCDV-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.47
Rot. Bonds5

About 2-(3-hydroxy-4-methylphenyl)-N-methyl-N-(1-methylsulfinylpropan-2-yl)acetamide

2-(3-hydroxy-4-methylphenyl)-N-methyl-N-(1-methylsulfinylpropan-2-yl)acetamide (PubChem CID 154752939) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methylphenyl)-N-methyl-N-(1-methylsulfinylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-4-methylphenyl)-N-methyl-N-(1-methylsulfinylpropan-2-yl)acetamide
PubChem CID154752939
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-(3-hydroxy-4-methylphenyl)-N-methyl-N-(1-methylsulfinylpropan-2-yl)acetamide
SMILESCc1ccc(CC(=O)N(C)C(C)CS(C)=O)cc1O
InChIInChI=1S/C14H21NO3S/c1-10-5-6-12(7-13(10)16)8-14(17)15(3)11(2)9-19(4)18/h5-7,11,16H,8-9H2,1-4H3
InChIKeyAIFKLGLEABCCDV-UHFFFAOYSA-N
XLogP1.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-chloropropan-2-yl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 104555801
3-(2,6-diethylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea
CID 99697996
3-(4-ethyl-3-fluorophenyl)-1-methyl-1-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]urea
CID 99581371
N-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 8918889
2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115869468
2-(3,4-dihydroxyphenyl)-N-methylacetohydrazide
CID 165452986
3-[3-(dimethylamino)-2-methylphenyl]-1-methyl-1-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]urea
CID 99587862
N-(1-hydroxypropan-2-yl)-N-methyl-2-naphthalen-2-ylacetamide
CID 115765000
3-(3-chloro-4-methylsulfanylphenyl)-1-methyl-1-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]urea
CID 99715554
N-(1-chloropropan-2-yl)-2-(3,4-difluorophenyl)-N-methylacetamide
CID 104555783
5-(2-hydroxy-3-methylbutyl)-2-methylphenol
CID 129174198
N-(2-amino-1-phenylethyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 146176829

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methylphenyl)-N-methyl-N-(1-methylsulfinylpropan-2-yl)acetamide?
The IUPAC name of 2-(3-hydroxy-4-methylphenyl)-N-methyl-N-(1-methylsulfinylpropan-2-yl)acetamide (CID 154752939) is 2-(3-hydroxy-4-methylphenyl)-N-methyl-N-(1-methylsulfinylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(3-hydroxy-4-methylphenyl)-N-methyl-N-(1-methylsulfinylpropan-2-yl)acetamide?
The canonical SMILES for 2-(3-hydroxy-4-methylphenyl)-N-methyl-N-(1-methylsulfinylpropan-2-yl)acetamide is Cc1ccc(CC(=O)N(C)C(C)CS(C)=O)cc1O.
What is the InChIKey of 2-(3-hydroxy-4-methylphenyl)-N-methyl-N-(1-methylsulfinylpropan-2-yl)acetamide?
The InChIKey is AIFKLGLEABCCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10-5-6-12(7-13(10)16)8-14(17)15(3)11(2)9-19(4)18/h5-7,11,16H,8-9H2,1-4H3.
What are the key properties of 2-(3-hydroxy-4-methylphenyl)-N-methyl-N-(1-methylsulfinylpropan-2-yl)acetamide?
2-(3-hydroxy-4-methylphenyl)-N-methyl-N-(1-methylsulfinylpropan-2-yl)acetamide has a molecular weight of 283.39 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methylphenyl)-N-methyl-N-(1-methylsulfinylpropan-2-yl)acetamide is sourced from PubChem (CID 154752939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).