2-(benzenesulfonyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide

C14H15N3O5S — CID 940979

IUPAC2-(benzenesulfonyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide
SMILESCOc1cc(OC)nc(NC(=O)CS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C14H15N3O5S/c1-21-12-8-13(22-2)17-14(16-12)15-11(18)9-23(19,20)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,15,16,17,18)
InChIKeyZJODRQQJLMAFBV-UHFFFAOYSA-N
MW337.36 g/mol
LogP0.91
Rot. Bonds6

About 2-(benzenesulfonyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide

2-(benzenesulfonyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide (PubChem CID 940979) has the molecular formula C14H15N3O5S and a molecular weight of 337.36 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide
PubChem CID940979
Molecular FormulaC14H15N3O5S
Molecular Weight337.36 g/mol
Exact Mass337.07
IUPAC Name2-(benzenesulfonyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide
SMILESCOc1cc(OC)nc(NC(=O)CS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C14H15N3O5S/c1-21-12-8-13(22-2)17-14(16-12)15-11(18)9-23(19,20)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,15,16,17,18)
InChIKeyZJODRQQJLMAFBV-UHFFFAOYSA-N
XLogP0.91
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide (CID 940979) is 2-(benzenesulfonyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide is COc1cc(OC)nc(NC(=O)CS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide?
The InChIKey is ZJODRQQJLMAFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S/c1-21-12-8-13(22-2)17-14(16-12)15-11(18)9-23(19,20)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,15,16,17,18).
What are the key properties of 2-(benzenesulfonyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide?
2-(benzenesulfonyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide has a molecular weight of 337.36 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide is sourced from PubChem (CID 940979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).