N-(4,6-dimethylpyrimidin-2-yl)-2-[(2-sulfamoylphenyl)sulfonylamino]acetamide

C14H17N5O5S2 — CID 57124828

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2-[(2-sulfamoylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)nc(NC(=O)CNS(=O)(=O)c2ccccc2S(N)(=O)=O)n1
InChIInChI=1S/C14H17N5O5S2/c1-9-7-10(2)18-14(17-9)19-13(20)8-16-26(23,24)12-6-4-3-5-11(12)25(15,21)22/h3-7,16H,8H2,1-2H3,(H2,15,21,22)(H,17,18,19,20)
InChIKeyFRVUBTNFXSEXCH-UHFFFAOYSA-N
MW399.45 g/mol
LogP-0.34
Rot. Bonds6

About N-(4,6-dimethylpyrimidin-2-yl)-2-[(2-sulfamoylphenyl)sulfonylamino]acetamide

N-(4,6-dimethylpyrimidin-2-yl)-2-[(2-sulfamoylphenyl)sulfonylamino]acetamide (PubChem CID 57124828) has the molecular formula C14H17N5O5S2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2-[(2-sulfamoylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2-[(2-sulfamoylphenyl)sulfonylamino]acetamide
PubChem CID57124828
Molecular FormulaC14H17N5O5S2
Molecular Weight399.45 g/mol
Exact Mass399.07
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2-[(2-sulfamoylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)nc(NC(=O)CNS(=O)(=O)c2ccccc2S(N)(=O)=O)n1
InChIInChI=1S/C14H17N5O5S2/c1-9-7-10(2)18-14(17-9)19-13(20)8-16-26(23,24)12-6-4-3-5-11(12)25(15,21)22/h3-7,16H,8H2,1-2H3,(H2,15,21,22)(H,17,18,19,20)
InChIKeyFRVUBTNFXSEXCH-UHFFFAOYSA-N
XLogP-0.34
TPSA161.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-[(2-sulfamoylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-[(2-sulfamoylphenyl)sulfonylamino]acetamide (CID 57124828) is N-(4,6-dimethylpyrimidin-2-yl)-2-[(2-sulfamoylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2-[(2-sulfamoylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2-[(2-sulfamoylphenyl)sulfonylamino]acetamide is Cc1cc(C)nc(NC(=O)CNS(=O)(=O)c2ccccc2S(N)(=O)=O)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2-[(2-sulfamoylphenyl)sulfonylamino]acetamide?
The InChIKey is FRVUBTNFXSEXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O5S2/c1-9-7-10(2)18-14(17-9)19-13(20)8-16-26(23,24)12-6-4-3-5-11(12)25(15,21)22/h3-7,16H,8H2,1-2H3,(H2,15,21,22)(H,17,18,19,20).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2-[(2-sulfamoylphenyl)sulfonylamino]acetamide?
N-(4,6-dimethylpyrimidin-2-yl)-2-[(2-sulfamoylphenyl)sulfonylamino]acetamide has a molecular weight of 399.45 g/mol, XLogP of -0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2-[(2-sulfamoylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 57124828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).