2-[5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophen-2-yl]acetic acid

C12H17NO6S2 — CID 60952459

IUPAC2-[5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophen-2-yl]acetic acid
SMILESCOC(=O)CN(C(C)C)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C12H17NO6S2/c1-8(2)13(7-11(16)19-3)21(17,18)12-5-4-9(20-12)6-10(14)15/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChIKeyJRWQHUNEKVGUHL-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.95
Rot. Bonds7

About 2-[5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophen-2-yl]acetic acid

2-[5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 60952459) has the molecular formula C12H17NO6S2 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-[5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophen-2-yl]acetic acid
PubChem CID60952459
Molecular FormulaC12H17NO6S2
Molecular Weight335.40 g/mol
Exact Mass335.05
IUPAC Name2-[5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophen-2-yl]acetic acid
SMILESCOC(=O)CN(C(C)C)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C12H17NO6S2/c1-8(2)13(7-11(16)19-3)21(17,18)12-5-4-9(20-12)6-10(14)15/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChIKeyJRWQHUNEKVGUHL-UHFFFAOYSA-N
XLogP0.95
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propan-2-ylamino]acetate
CID 106267874
2-[5-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 45299021
methyl 2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetate
CID 113337732
2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 43213263
2-[5-[ethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 61384509
2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 83177239
5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]furan-2-carboxylic acid
CID 60951869
methyl 2-[(4-methylphenyl)sulfonyl-propan-2-ylamino]acetate
CID 54942029
2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 45297292
methyl 2-(5-sulfamoylthiophen-2-yl)acetate
CID 60753569
2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid
CID 29045889
2-[5-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]thiophen-2-yl]acetic acid
CID 79386899

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophen-2-yl]acetic acid (CID 60952459) is 2-[5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophen-2-yl]acetic acid is COC(=O)CN(C(C)C)S(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is JRWQHUNEKVGUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6S2/c1-8(2)13(7-11(16)19-3)21(17,18)12-5-4-9(20-12)6-10(14)15/h4-5,8H,6-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 335.40 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 60952459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).