5-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]-3-methylthiophene-2-carboxylic acid

C12H17NO6S2 — CID 60951024

IUPAC5-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCCCN(CC(=O)OC)S(=O)(=O)c1cc(C)c(C(=O)O)s1
InChIInChI=1S/C12H17NO6S2/c1-4-5-13(7-9(14)19-3)21(17,18)10-6-8(2)11(20-10)12(15)16/h6H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyZTYLLGNWXGVCSH-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.33
Rot. Bonds7

About 5-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 60951024) has the molecular formula C12H17NO6S2 and a molecular weight of 335.40 g/mol. Its IUPAC name is 5-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID60951024
Molecular FormulaC12H17NO6S2
Molecular Weight335.40 g/mol
Exact Mass335.05
IUPAC Name5-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCCCN(CC(=O)OC)S(=O)(=O)c1cc(C)c(C(=O)O)s1
InChIInChI=1S/C12H17NO6S2/c1-4-5-13(7-9(14)19-3)21(17,18)10-6-8(2)11(20-10)12(15)16/h6H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyZTYLLGNWXGVCSH-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 79923482
methyl 2-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-propylamino]acetate
CID 107326909
5-[hydroxy(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 127020813
methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propylamino]acetate
CID 106267875
5-(dipropylsulfamoylamino)-3-methylthiophene-2-carboxylic acid
CID 43361342
methyl 2-[(3-amino-4-fluoro-5-methylphenyl)sulfonyl-propylamino]acetate
CID 115421337
methyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate
CID 61072284
methyl 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-propylamino]acetate
CID 79899489
methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate
CID 61047061
5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60950437
methyl 2-[(4-bromo-2-fluorophenyl)sulfonyl-propylamino]acetate
CID 116528004
5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43314407

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 60951024) is 5-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]-3-methylthiophene-2-carboxylic acid is CCCN(CC(=O)OC)S(=O)(=O)c1cc(C)c(C(=O)O)s1.
What is the InChIKey of 5-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is ZTYLLGNWXGVCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6S2/c1-4-5-13(7-9(14)19-3)21(17,18)10-6-8(2)11(20-10)12(15)16/h6H,4-5,7H2,1-3H3,(H,15,16).
What are the key properties of 5-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-2-oxoethyl)-propylsulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 60951024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).