N-tert-butyl-2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide

C20H28N4O2S — CID 40670161

IUPACN-tert-butyl-2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide
SMILESCc1ccc(C)c(-n2ccnc2SCC(=O)N(C)CC(=O)NC(C)(C)C)c1
InChIInChI=1S/C20H28N4O2S/c1-14-7-8-15(2)16(11-14)24-10-9-21-19(24)27-13-18(26)23(6)12-17(25)22-20(3,4)5/h7-11H,12-13H2,1-6H3,(H,22,25)
InChIKeySFCGMGDGIXCPAK-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.95
Rot. Bonds6

About N-tert-butyl-2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide

N-tert-butyl-2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide (PubChem CID 40670161) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide
PubChem CID40670161
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC NameN-tert-butyl-2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide
SMILESCc1ccc(C)c(-n2ccnc2SCC(=O)N(C)CC(=O)NC(C)(C)C)c1
InChIInChI=1S/C20H28N4O2S/c1-14-7-8-15(2)16(11-14)24-10-9-21-19(24)27-13-18(26)23(6)12-17(25)22-20(3,4)5/h7-11H,12-13H2,1-6H3,(H,22,25)
InChIKeySFCGMGDGIXCPAK-UHFFFAOYSA-N
XLogP2.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide
CID 40670232
N-[4-(dimethylamino)phenyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55368161
3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2,2-dimethylpropanamide
CID 60557721
N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 8682254
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519002
N-(3-acetamidophenyl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7150913
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 32710524
N-tert-butyl-2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]-methylamino]acetamide
CID 55399258
N-benzyl-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-hydroxyethyl)acetamide
CID 78854657
2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 78797290
3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide
CID 24651767
N-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide
CID 30366047

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide (CID 40670161) is N-tert-butyl-2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide is Cc1ccc(C)c(-n2ccnc2SCC(=O)N(C)CC(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide?
The InChIKey is SFCGMGDGIXCPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-14-7-8-15(2)16(11-14)24-10-9-21-19(24)27-13-18(26)23(6)12-17(25)22-20(3,4)5/h7-11H,12-13H2,1-6H3,(H,22,25).
What are the key properties of N-tert-butyl-2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide?
N-tert-butyl-2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide has a molecular weight of 388.54 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide is sourced from PubChem (CID 40670161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).