2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetamide

C15H18N4O4S — CID 4298504

IUPAC2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetamide
SMILESCOc1cc(C)nc(N(CC(N)=O)S(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C15H18N4O4S/c1-10-4-6-12(7-5-10)24(21,22)19(9-13(16)20)15-17-11(2)8-14(18-15)23-3/h4-8H,9H2,1-3H3,(H2,16,20)
InChIKeyXKAYMZCYMVPQEJ-UHFFFAOYSA-N
MW350.40 g/mol
LogP0.78
Rot. Bonds6

About 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetamide

2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 4298504) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID4298504
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetamide
SMILESCOc1cc(C)nc(N(CC(N)=O)S(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C15H18N4O4S/c1-10-4-6-12(7-5-10)24(21,22)19(9-13(16)20)15-17-11(2)8-14(18-15)23-3/h4-8H,9H2,1-3H3,(H2,16,20)
InChIKeyXKAYMZCYMVPQEJ-UHFFFAOYSA-N
XLogP0.78
TPSA115.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetamide (CID 4298504) is 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetamide is COc1cc(C)nc(N(CC(N)=O)S(=O)(=O)c2ccc(C)cc2)n1.
What is the InChIKey of 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is XKAYMZCYMVPQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-10-4-6-12(7-5-10)24(21,22)19(9-13(16)20)15-17-11(2)8-14(18-15)23-3/h4-8H,9H2,1-3H3,(H2,16,20).
What are the key properties of 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetamide?
2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 350.40 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 4298504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).