2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid

C12H13N3O4S2 — CID 29267010

IUPAC2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(CC(=O)O)s2)n1
InChIInChI=1S/C12H13N3O4S2/c1-7-5-8(2)14-12(13-7)15-21(18,19)11-4-3-9(20-11)6-10(16)17/h3-5H,6H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyBIWZBOMWOXBJAF-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.58
Rot. Bonds5

About 2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 29267010) has the molecular formula C12H13N3O4S2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID29267010
Molecular FormulaC12H13N3O4S2
Molecular Weight327.39 g/mol
Exact Mass327.03
IUPAC Name2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(CC(=O)O)s2)n1
InChIInChI=1S/C12H13N3O4S2/c1-7-5-8(2)14-12(13-7)15-21(18,19)11-4-3-9(20-11)6-10(16)17/h3-5H,6H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyBIWZBOMWOXBJAF-UHFFFAOYSA-N
XLogP1.58
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophene-2-carboxylate
CID 154752638
2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 28546366
2-[5-(1,2-oxazol-3-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 60681193
2-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 104617526
2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 83177239
2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid
CID 43079020
2-[5-[(4-bromo-2-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 43237086
2-[5-[(5-fluoro-2-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 65479671
2-[5-[(3-fluoro-4-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 107594798
2-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29080256
2-[5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 81260465
2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid
CID 29045889

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid (CID 29267010) is 2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid is Cc1cc(C)nc(NS(=O)(=O)c2ccc(CC(=O)O)s2)n1.
What is the InChIKey of 2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is BIWZBOMWOXBJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S2/c1-7-5-8(2)14-12(13-7)15-21(18,19)11-4-3-9(20-11)6-10(16)17/h3-5H,6H2,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 327.39 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 29267010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).