N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide

C22H20N4O2S2 — CID 60622319

IUPACN-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCn1ccnc1Sc1ccccc1NC(=O)CSCc1coc(-c2ccccc2)n1
InChIInChI=1S/C22H20N4O2S2/c1-26-12-11-23-22(26)30-19-10-6-5-9-18(19)25-20(27)15-29-14-17-13-28-21(24-17)16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyQBPILCMSWNVIQP-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.10
Rot. Bonds8

About N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide

N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide (PubChem CID 60622319) has the molecular formula C22H20N4O2S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
PubChem CID60622319
Molecular FormulaC22H20N4O2S2
Molecular Weight436.56 g/mol
Exact Mass436.10
IUPAC NameN-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCn1ccnc1Sc1ccccc1NC(=O)CSCc1coc(-c2ccccc2)n1
InChIInChI=1S/C22H20N4O2S2/c1-26-12-11-23-22(26)30-19-10-6-5-9-18(19)25-20(27)15-29-14-17-13-28-21(24-17)16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyQBPILCMSWNVIQP-UHFFFAOYSA-N
XLogP5.10
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 55629856
2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]propanoic acid
CID 119225340
2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]butanoic acid
CID 119223648
(2S)-2-methyl-3-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]propanoic acid
CID 97087268
N-[2-(morpholin-4-ylmethyl)phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 55900598
N-phenyl-2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]acetamide
CID 55990346
N-(4-hydroxycyclohexyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 110893981
2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 55630083
N-(2-aminoethyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 119385455
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 110001098
2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-(2-pyridin-2-ylethyl)acetamide
CID 87000849
2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-[(R)-phenyl(pyridin-2-yl)methyl]acetamide
CID 51958395

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide (CID 60622319) is N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide is Cn1ccnc1Sc1ccccc1NC(=O)CSCc1coc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is QBPILCMSWNVIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S2/c1-26-12-11-23-22(26)30-19-10-6-5-9-18(19)25-20(27)15-29-14-17-13-28-21(24-17)16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,25,27).
What are the key properties of N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 436.56 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 60622319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).