N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide

C18H28N2O2S — CID 8682254

IUPACN-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
SMILESCc1cc(C)c(SCC(=O)N(C)CC(=O)NC(C)(C)C)c(C)c1
InChIInChI=1S/C18H28N2O2S/c1-12-8-13(2)17(14(3)9-12)23-11-16(22)20(7)10-15(21)19-18(4,5)6/h8-9H,10-11H2,1-7H3,(H,19,21)
InChIKeyKMODOFFVALYSCP-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.08
Rot. Bonds5

About N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide

N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide (PubChem CID 8682254) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
PubChem CID8682254
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC NameN-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
SMILESCc1cc(C)c(SCC(=O)N(C)CC(=O)NC(C)(C)C)c(C)c1
InChIInChI=1S/C18H28N2O2S/c1-12-8-13(2)17(14(3)9-12)23-11-16(22)20(7)10-15(21)19-18(4,5)6/h8-9H,10-11H2,1-7H3,(H,19,21)
InChIKeyKMODOFFVALYSCP-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]-methylamino]acetamide
CID 55399258
N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]acetamide
CID 24660351
N-(2-chlorophenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 7799529
N-tert-butyl-2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide
CID 40670161
N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide
CID 18118094
N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 8682208
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 34162909
N-tert-butyl-2-[(3,5-dimethylphenyl)carbamoyl-methylamino]acetamide
CID 86986936
2-(N-acetyl-2,4,6-trimethylanilino)-N-tert-butylacetamide
CID 113169988
2-[(2-benzylsulfanylacetyl)-methylamino]-N-tert-butylacetamide
CID 8620942
N-tert-butyl-2-[(2,4-dimethylphenyl)carbamoyl-methylamino]acetamide
CID 86986380
2-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-tert-butylacetamide
CID 8562191

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide (CID 8682254) is N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide is Cc1cc(C)c(SCC(=O)N(C)CC(=O)NC(C)(C)C)c(C)c1.
What is the InChIKey of N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide?
The InChIKey is KMODOFFVALYSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-12-8-13(2)17(14(3)9-12)23-11-16(22)20(7)10-15(21)19-18(4,5)6/h8-9H,10-11H2,1-7H3,(H,19,21).
What are the key properties of N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide?
N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide has a molecular weight of 336.50 g/mol, XLogP of 3.08, 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-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 8682254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).