2-[5-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid

C12H16N2O5S2 — CID 63285665

IUPAC2-[5-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCOCCN(CCC#N)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C12H16N2O5S2/c1-19-8-7-14(6-2-5-13)21(17,18)12-4-3-10(20-12)9-11(15)16/h3-4H,2,6-9H2,1H3,(H,15,16)
InChIKeyMNIHJISLPRZALZ-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.93
Rot. Bonds9

About 2-[5-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 63285665) has the molecular formula C12H16N2O5S2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[5-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID63285665
Molecular FormulaC12H16N2O5S2
Molecular Weight332.40 g/mol
Exact Mass332.05
IUPAC Name2-[5-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCOCCN(CCC#N)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C12H16N2O5S2/c1-19-8-7-14(6-2-5-13)21(17,18)12-4-3-10(20-12)9-11(15)16/h3-4H,2,6-9H2,1H3,(H,15,16)
InChIKeyMNIHJISLPRZALZ-UHFFFAOYSA-N
XLogP0.93
TPSA107.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[ethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 61384509
N-[[5-[bis(2-methoxyethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55364957
3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63285895
5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
CID 103099958
2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 62844503
4-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63618347
2-[5-[3-(dimethylamino)propyl-ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 102991763
2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 45297292
3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748749
2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid
CID 29045889
5-[2-cyanoethyl(2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61028171
2-[5-[ethyl(thiophen-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 45298794

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid (CID 63285665) is 2-[5-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid is COCCN(CCC#N)S(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is MNIHJISLPRZALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S2/c1-19-8-7-14(6-2-5-13)21(17,18)12-4-3-10(20-12)9-11(15)16/h3-4H,2,6-9H2,1H3,(H,15,16).
What are the key properties of 2-[5-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 332.40 g/mol, XLogP of 0.93, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 63285665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).