N-benzyl-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide

C20H25NOS — CID 3610323

IUPACN-benzyl-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide
SMILESCc1ccc(C(C)(C)C)cc1SCC(=O)NCc1ccccc1
InChIInChI=1S/C20H25NOS/c1-15-10-11-17(20(2,3)4)12-18(15)23-14-19(22)21-13-16-8-6-5-7-9-16/h5-12H,13-14H2,1-4H3,(H,21,22)
InChIKeyFLUQIKSJRQJUOT-UHFFFAOYSA-N
MW327.49 g/mol
LogP4.70
Rot. Bonds5

About N-benzyl-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide

N-benzyl-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide (PubChem CID 3610323) has the molecular formula C20H25NOS and a molecular weight of 327.49 g/mol. Its IUPAC name is N-benzyl-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide
PubChem CID3610323
Molecular FormulaC20H25NOS
Molecular Weight327.49 g/mol
Exact Mass327.17
IUPAC NameN-benzyl-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide
SMILESCc1ccc(C(C)(C)C)cc1SCC(=O)NCc1ccccc1
InChIInChI=1S/C20H25NOS/c1-15-10-11-17(20(2,3)4)12-18(15)23-14-19(22)21-13-16-8-6-5-7-9-16/h5-12H,13-14H2,1-4H3,(H,21,22)
InChIKeyFLUQIKSJRQJUOT-UHFFFAOYSA-N
XLogP4.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 3686573
2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8590599
2-(2-methylphenyl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 17494927
N-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide
CID 4092566
2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 4201897
N-(2-benzylsulfanylethyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 7488695
2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 4299760
2-(2-methylphenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483315
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide
CID 35432170
4-[[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]methyl]benzoic acid
CID 4791146
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654
2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109465

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-benzyl-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide (CID 3610323) is N-benzyl-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-benzyl-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide is Cc1ccc(C(C)(C)C)cc1SCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide?
The InChIKey is FLUQIKSJRQJUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NOS/c1-15-10-11-17(20(2,3)4)12-18(15)23-14-19(22)21-13-16-8-6-5-7-9-16/h5-12H,13-14H2,1-4H3,(H,21,22).
What are the key properties of N-benzyl-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide?
N-benzyl-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide has a molecular weight of 327.49 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 3610323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).