2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide

C21H27NOS — CID 3686573

IUPAC2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESCc1ccc(C(C)(C)C)cc1SCC(=O)NCCc1ccccc1
InChIInChI=1S/C21H27NOS/c1-16-10-11-18(21(2,3)4)14-19(16)24-15-20(23)22-13-12-17-8-6-5-7-9-17/h5-11,14H,12-13,15H2,1-4H3,(H,22,23)
InChIKeyLCDUSONRDMSINE-UHFFFAOYSA-N
MW341.52 g/mol
LogP4.74
Rot. Bonds6

About 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide

2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 3686573) has the molecular formula C21H27NOS and a molecular weight of 341.52 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID3686573
Molecular FormulaC21H27NOS
Molecular Weight341.52 g/mol
Exact Mass341.18
IUPAC Name2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESCc1ccc(C(C)(C)C)cc1SCC(=O)NCCc1ccccc1
InChIInChI=1S/C21H27NOS/c1-16-10-11-18(21(2,3)4)14-19(16)24-15-20(23)22-13-12-17-8-6-5-7-9-17/h5-11,14H,12-13,15H2,1-4H3,(H,22,23)
InChIKeyLCDUSONRDMSINE-UHFFFAOYSA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide
CID 3610323
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 43303113
2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8590599
N-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide
CID 4092566
2-(2-bromophenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 92513723
2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 4201897
N-(2-benzylsulfanylethyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 7488695
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 7613570
N-(2-phenylethyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1176184
4-methyl-3-[2-oxo-2-(propylamino)ethyl]sulfanylbenzoic acid
CID 82365708
N-(2-phenylethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 17440632
2-[6-(2-methylphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 8699651

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide (CID 3686573) is 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide is Cc1ccc(C(C)(C)C)cc1SCC(=O)NCCc1ccccc1.
What is the InChIKey of 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is LCDUSONRDMSINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NOS/c1-16-10-11-18(21(2,3)4)14-19(16)24-15-20(23)22-13-12-17-8-6-5-7-9-17/h5-11,14H,12-13,15H2,1-4H3,(H,22,23).
What are the key properties of 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide?
2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 341.52 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3686573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).