N-tert-butyl-2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]-methylamino]acetamide

C20H32N2O2S — CID 55399258

IUPACN-tert-butyl-2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]-methylamino]acetamide
SMILESCc1ccc(C(C)(C)C)cc1SCC(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C20H32N2O2S/c1-14-9-10-15(19(2,3)4)11-16(14)25-13-18(24)22(8)12-17(23)21-20(5,6)7/h9-11H,12-13H2,1-8H3,(H,21,23)
InChIKeyYWIXRGOSPJLYQC-UHFFFAOYSA-N
MW364.56 g/mol
LogP3.76
Rot. Bonds5

About N-tert-butyl-2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]-methylamino]acetamide

N-tert-butyl-2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]-methylamino]acetamide (PubChem CID 55399258) has the molecular formula C20H32N2O2S and a molecular weight of 364.56 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]-methylamino]acetamide
PubChem CID55399258
Molecular FormulaC20H32N2O2S
Molecular Weight364.56 g/mol
Exact Mass364.22
IUPAC NameN-tert-butyl-2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]-methylamino]acetamide
SMILESCc1ccc(C(C)(C)C)cc1SCC(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C20H32N2O2S/c1-14-9-10-15(19(2,3)4)11-16(14)25-13-18(24)22(8)12-17(23)21-20(5,6)7/h9-11H,12-13H2,1-8H3,(H,21,23)
InChIKeyYWIXRGOSPJLYQC-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]-methylamino]acetamide (CID 55399258) is N-tert-butyl-2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]-methylamino]acetamide is Cc1ccc(C(C)(C)C)cc1SCC(=O)N(C)CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]-methylamino]acetamide?
The InChIKey is YWIXRGOSPJLYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2S/c1-14-9-10-15(19(2,3)4)11-16(14)25-13-18(24)22(8)12-17(23)21-20(5,6)7/h9-11H,12-13H2,1-8H3,(H,21,23).
What are the key properties of N-tert-butyl-2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]-methylamino]acetamide?
N-tert-butyl-2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]-methylamino]acetamide has a molecular weight of 364.56 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]-methylamino]acetamide is sourced from PubChem (CID 55399258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).