5-[[2-(carboxymethylamino)-2-oxoethyl]sulfamoyl]-4-methoxythiophene-2-carboxylic acid

C10H12N2O8S2 — CID 167931892

IUPAC5-[[2-(carboxymethylamino)-2-oxoethyl]sulfamoyl]-4-methoxythiophene-2-carboxylic acid
SMILESCOc1cc(C(=O)O)sc1S(=O)(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H12N2O8S2/c1-20-5-2-6(9(16)17)21-10(5)22(18,19)12-3-7(13)11-4-8(14)15/h2,12H,3-4H2,1H3,(H,11,13)(H,14,15)(H,16,17)
InChIKeyVSZLFUGJJLBQTB-UHFFFAOYSA-N
MW352.35 g/mol
LogP-1.07
Rot. Bonds8

About 5-[[2-(carboxymethylamino)-2-oxoethyl]sulfamoyl]-4-methoxythiophene-2-carboxylic acid

5-[[2-(carboxymethylamino)-2-oxoethyl]sulfamoyl]-4-methoxythiophene-2-carboxylic acid (PubChem CID 167931892) has the molecular formula C10H12N2O8S2 and a molecular weight of 352.35 g/mol. Its IUPAC name is 5-[[2-(carboxymethylamino)-2-oxoethyl]sulfamoyl]-4-methoxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(carboxymethylamino)-2-oxoethyl]sulfamoyl]-4-methoxythiophene-2-carboxylic acid
PubChem CID167931892
Molecular FormulaC10H12N2O8S2
Molecular Weight352.35 g/mol
Exact Mass352.00
IUPAC Name5-[[2-(carboxymethylamino)-2-oxoethyl]sulfamoyl]-4-methoxythiophene-2-carboxylic acid
SMILESCOc1cc(C(=O)O)sc1S(=O)(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H12N2O8S2/c1-20-5-2-6(9(16)17)21-10(5)22(18,19)12-3-7(13)11-4-8(14)15/h2,12H,3-4H2,1H3,(H,11,13)(H,14,15)(H,16,17)
InChIKeyVSZLFUGJJLBQTB-UHFFFAOYSA-N
XLogP-1.07
TPSA159.10 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetyl]amino]acetic acid
CID 43386864
methyl 4-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)thiophene-2-carboxylate;hydrochloride
CID 119974355
2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171293
methyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-4-methoxythiophene-2-carboxylate
CID 119981396
4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 115588760
4,5-dimethoxythiophene-2-carboxylic acid
CID 69334026
methyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-4-methoxythiophene-2-carboxylate
CID 119980905
5-(cyclopropylmethylsulfamoyl)-4-methylthiophene-2-carboxylic acid
CID 71196416
2-[(2-chloro-4,5-dimethoxyphenyl)sulfonylamino]acetic acid
CID 120606769
5-iodo-4-methoxythiophene-2-carboxylic acid
CID 112706192
methyl 5-(1-aminohexan-2-ylsulfamoyl)-4-methoxythiophene-2-carboxylate
CID 119993207
methyl 5-[(2-amino-1-cyclopentylethyl)sulfamoyl]-4-methoxythiophene-2-carboxylate
CID 120585239

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(carboxymethylamino)-2-oxoethyl]sulfamoyl]-4-methoxythiophene-2-carboxylic acid?
The IUPAC name of 5-[[2-(carboxymethylamino)-2-oxoethyl]sulfamoyl]-4-methoxythiophene-2-carboxylic acid (CID 167931892) is 5-[[2-(carboxymethylamino)-2-oxoethyl]sulfamoyl]-4-methoxythiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(carboxymethylamino)-2-oxoethyl]sulfamoyl]-4-methoxythiophene-2-carboxylic acid?
The canonical SMILES for 5-[[2-(carboxymethylamino)-2-oxoethyl]sulfamoyl]-4-methoxythiophene-2-carboxylic acid is COc1cc(C(=O)O)sc1S(=O)(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 5-[[2-(carboxymethylamino)-2-oxoethyl]sulfamoyl]-4-methoxythiophene-2-carboxylic acid?
The InChIKey is VSZLFUGJJLBQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O8S2/c1-20-5-2-6(9(16)17)21-10(5)22(18,19)12-3-7(13)11-4-8(14)15/h2,12H,3-4H2,1H3,(H,11,13)(H,14,15)(H,16,17).
What are the key properties of 5-[[2-(carboxymethylamino)-2-oxoethyl]sulfamoyl]-4-methoxythiophene-2-carboxylic acid?
5-[[2-(carboxymethylamino)-2-oxoethyl]sulfamoyl]-4-methoxythiophene-2-carboxylic acid has a molecular weight of 352.35 g/mol, XLogP of -1.07, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(carboxymethylamino)-2-oxoethyl]sulfamoyl]-4-methoxythiophene-2-carboxylic acid is sourced from PubChem (CID 167931892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).