2-(2,5-dimethylphenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide

C14H21NO2S — CID 43390415

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
SMILESCc1ccc(C)c(SCC(=O)NC(C)(C)CO)c1
InChIInChI=1S/C14H21NO2S/c1-10-5-6-11(2)12(7-10)18-8-13(17)15-14(3,4)9-16/h5-7,16H,8-9H2,1-4H3,(H,15,17)
InChIKeyJMHYGCYOYVCEMP-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.28
Rot. Bonds5

About 2-(2,5-dimethylphenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide

2-(2,5-dimethylphenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide (PubChem CID 43390415) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
PubChem CID43390415
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
SMILESCc1ccc(C)c(SCC(=O)NC(C)(C)CO)c1
InChIInChI=1S/C14H21NO2S/c1-10-5-6-11(2)12(7-10)18-8-13(17)15-14(3,4)9-16/h5-7,16H,8-9H2,1-4H3,(H,15,17)
InChIKeyJMHYGCYOYVCEMP-UHFFFAOYSA-N
XLogP2.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-2-methylbutanoic acid
CID 79792319
2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109465
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
methyl 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-3-hydroxypropanoate
CID 43405647
2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide
CID 79140774
2-(2-amino-5-methylphenyl)sulfanyl-N-tert-butylacetamide
CID 79142290
(2S)-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-4-hydroxybutanoic acid
CID 107822367
2-(2,5-dimethylphenyl)sulfanyl-N-(2-ethylbutyl)acetamide
CID 115612499
2-[[2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]acetyl]amino]acetic acid
CID 43387450
2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]butanoic acid
CID 43387165
N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616259
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119508375

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide (CID 43390415) is 2-(2,5-dimethylphenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide is Cc1ccc(C)c(SCC(=O)NC(C)(C)CO)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
The InChIKey is JMHYGCYOYVCEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10-5-6-11(2)12(7-10)18-8-13(17)15-14(3,4)9-16/h5-7,16H,8-9H2,1-4H3,(H,15,17).
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
2-(2,5-dimethylphenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide has a molecular weight of 267.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide is sourced from PubChem (CID 43390415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).