2-[(2-methylphenyl)methylsulfanyl]-N-(2-methyl-1-phenylpropan-2-yl)acetamide

C20H25NOS — CID 100564139

IUPAC2-[(2-methylphenyl)methylsulfanyl]-N-(2-methyl-1-phenylpropan-2-yl)acetamide
SMILESCc1ccccc1CSCC(=O)NC(C)(C)Cc1ccccc1
InChIInChI=1S/C20H25NOS/c1-16-9-7-8-12-18(16)14-23-15-19(22)21-20(2,3)13-17-10-5-4-6-11-17/h4-12H,13-15H2,1-3H3,(H,21,22)
InChIKeyXURWTNJMNJNJSF-UHFFFAOYSA-N
MW327.49 g/mol
LogP4.37
Rot. Bonds7

About 2-[(2-methylphenyl)methylsulfanyl]-N-(2-methyl-1-phenylpropan-2-yl)acetamide

2-[(2-methylphenyl)methylsulfanyl]-N-(2-methyl-1-phenylpropan-2-yl)acetamide (PubChem CID 100564139) has the molecular formula C20H25NOS and a molecular weight of 327.49 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methylsulfanyl]-N-(2-methyl-1-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)methylsulfanyl]-N-(2-methyl-1-phenylpropan-2-yl)acetamide
PubChem CID100564139
Molecular FormulaC20H25NOS
Molecular Weight327.49 g/mol
Exact Mass327.17
IUPAC Name2-[(2-methylphenyl)methylsulfanyl]-N-(2-methyl-1-phenylpropan-2-yl)acetamide
SMILESCc1ccccc1CSCC(=O)NC(C)(C)Cc1ccccc1
InChIInChI=1S/C20H25NOS/c1-16-9-7-8-12-18(16)14-23-15-19(22)21-20(2,3)13-17-10-5-4-6-11-17/h4-12H,13-15H2,1-3H3,(H,21,22)
InChIKeyXURWTNJMNJNJSF-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzylsulfanyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100733886
2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 846734
2-(4-aminophenyl)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]acetamide
CID 119774393
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 2784737
2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100702626
2-[(2-methylphenyl)methylsulfanyl]-N-prop-2-ynylacetamide
CID 78815263
2,2-dimethyl-3-[(2-methylphenyl)methylsulfanyl]propanoic acid
CID 79630032
1-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone
CID 62771239
N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 893537
N-[(Z)-benzylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 5393530
2-methoxy-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 84570069
N-(2,6-dimethylphenyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]acetamide
CID 7654950

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methylsulfanyl]-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The IUPAC name of 2-[(2-methylphenyl)methylsulfanyl]-N-(2-methyl-1-phenylpropan-2-yl)acetamide (CID 100564139) is 2-[(2-methylphenyl)methylsulfanyl]-N-(2-methyl-1-phenylpropan-2-yl)acetamide.
What is the SMILES notation for 2-[(2-methylphenyl)methylsulfanyl]-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The canonical SMILES for 2-[(2-methylphenyl)methylsulfanyl]-N-(2-methyl-1-phenylpropan-2-yl)acetamide is Cc1ccccc1CSCC(=O)NC(C)(C)Cc1ccccc1.
What is the InChIKey of 2-[(2-methylphenyl)methylsulfanyl]-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The InChIKey is XURWTNJMNJNJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NOS/c1-16-9-7-8-12-18(16)14-23-15-19(22)21-20(2,3)13-17-10-5-4-6-11-17/h4-12H,13-15H2,1-3H3,(H,21,22).
What are the key properties of 2-[(2-methylphenyl)methylsulfanyl]-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
2-[(2-methylphenyl)methylsulfanyl]-N-(2-methyl-1-phenylpropan-2-yl)acetamide has a molecular weight of 327.49 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methylsulfanyl]-N-(2-methyl-1-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 100564139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).