3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2,2-dimethylpropanamide

C18H24N4O2S — CID 60557721

IUPAC3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2,2-dimethylpropanamide
SMILESCc1ccc(C)c(-n2ccnc2SCC(=O)NCC(C)(C)C(N)=O)c1
InChIInChI=1S/C18H24N4O2S/c1-12-5-6-13(2)14(9-12)22-8-7-20-17(22)25-10-15(23)21-11-18(3,4)16(19)24/h5-9H,10-11H2,1-4H3,(H2,19,24)(H,21,23)
InChIKeyDPDGNLTYDQOEMB-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.21
Rot. Bonds7

About 3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2,2-dimethylpropanamide

3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2,2-dimethylpropanamide (PubChem CID 60557721) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2,2-dimethylpropanamide
PubChem CID60557721
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2,2-dimethylpropanamide
SMILESCc1ccc(C)c(-n2ccnc2SCC(=O)NCC(C)(C)C(N)=O)c1
InChIInChI=1S/C18H24N4O2S/c1-12-5-6-13(2)14(9-12)22-8-7-20-17(22)25-10-15(23)21-11-18(3,4)16(19)24/h5-9H,10-11H2,1-4H3,(H2,19,24)(H,21,23)
InChIKeyDPDGNLTYDQOEMB-UHFFFAOYSA-N
XLogP2.21
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
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2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide
CID 43027460
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
N-tert-butyl-2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide
CID 40670161
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 32710524
benzyl (2R)-3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2-hydroxypropanoate
CID 97259855
N-[4-(dimethylamino)phenyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
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N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55652675
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[[2-(methanesulfonamido)phenyl]methyl]acetamide
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N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2,2-dimethylpropanamide (CID 60557721) is 3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2,2-dimethylpropanamide is Cc1ccc(C)c(-n2ccnc2SCC(=O)NCC(C)(C)C(N)=O)c1.
What is the InChIKey of 3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2,2-dimethylpropanamide?
The InChIKey is DPDGNLTYDQOEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-12-5-6-13(2)14(9-12)22-8-7-20-17(22)25-10-15(23)21-11-18(3,4)16(19)24/h5-9H,10-11H2,1-4H3,(H2,19,24)(H,21,23).
What are the key properties of 3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2,2-dimethylpropanamide?
3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2,2-dimethylpropanamide has a molecular weight of 360.48 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 60557721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).