2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)acetamide

C15H16N4O4S — CID 2359340

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C)cc(C)n1
InChIInChI=1S/C15H16N4O4S/c1-9-6-10(2)17-15(16-9)24-8-14(20)18-12-7-11(19(21)22)4-5-13(12)23-3/h4-7H,8H2,1-3H3,(H,18,20)
InChIKeyUEFQIMSEEJCIOG-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.74
Rot. Bonds6

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)acetamide (PubChem CID 2359340) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)acetamide
PubChem CID2359340
Molecular FormulaC15H16N4O4S
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C)cc(C)n1
InChIInChI=1S/C15H16N4O4S/c1-9-6-10(2)17-15(16-9)24-8-14(20)18-12-7-11(19(21)22)4-5-13(12)23-3/h4-7H,8H2,1-3H3,(H,18,20)
InChIKeyUEFQIMSEEJCIOG-UHFFFAOYSA-N
XLogP2.74
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)acetamide (CID 2359340) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C)cc(C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)acetamide?
The InChIKey is UEFQIMSEEJCIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4S/c1-9-6-10(2)17-15(16-9)24-8-14(20)18-12-7-11(19(21)22)4-5-13(12)23-3/h4-7H,8H2,1-3H3,(H,18,20).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)acetamide has a molecular weight of 348.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 2359340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).