2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-methylphenyl)acetamide

C16H20N4O2S — CID 4883426

IUPAC2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CSc2nccn2C)cc1
InChIInChI=1S/C16H20N4O2S/c1-12-4-6-13(7-5-12)18-14(21)10-20(3)15(22)11-23-16-17-8-9-19(16)2/h4-9H,10-11H2,1-3H3,(H,18,21)
InChIKeyZJPWKUNDCXMHBI-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.92
Rot. Bonds6

About 2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-methylphenyl)acetamide

2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-methylphenyl)acetamide (PubChem CID 4883426) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-methylphenyl)acetamide
PubChem CID4883426
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CSc2nccn2C)cc1
InChIInChI=1S/C16H20N4O2S/c1-12-4-6-13(7-5-12)18-14(21)10-20(3)15(22)11-23-16-17-8-9-19(16)2/h4-9H,10-11H2,1-3H3,(H,18,21)
InChIKeyZJPWKUNDCXMHBI-UHFFFAOYSA-N
XLogP1.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-methylphenyl)acetamide (CID 4883426) is 2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)C(=O)CSc2nccn2C)cc1.
What is the InChIKey of 2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-methylphenyl)acetamide?
The InChIKey is ZJPWKUNDCXMHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-12-4-6-13(7-5-12)18-14(21)10-20(3)15(22)11-23-16-17-8-9-19(16)2/h4-9H,10-11H2,1-3H3,(H,18,21).
What are the key properties of 2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-methylphenyl)acetamide?
2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-methylphenyl)acetamide has a molecular weight of 332.43 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 4883426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).