2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid

C12H20N2O5S2 — CID 62844503

IUPAC2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid
SMILESCOCCN(C)CCNS(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C12H20N2O5S2/c1-14(7-8-19-2)6-5-13-21(17,18)12-4-3-10(20-12)9-11(15)16/h3-4,13H,5-9H2,1-2H3,(H,15,16)
InChIKeyADWXVFKJRKLVSD-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.23
Rot. Bonds10

About 2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid

2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 62844503) has the molecular formula C12H20N2O5S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid
PubChem CID62844503
Molecular FormulaC12H20N2O5S2
Molecular Weight336.44 g/mol
Exact Mass336.08
IUPAC Name2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid
SMILESCOCCN(C)CCNS(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C12H20N2O5S2/c1-14(7-8-19-2)6-5-13-21(17,18)12-4-3-10(20-12)9-11(15)16/h3-4,13H,5-9H2,1-2H3,(H,15,16)
InChIKeyADWXVFKJRKLVSD-UHFFFAOYSA-N
XLogP0.23
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid
CID 29045889
2-[5-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 60926141
2-[5-[ethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 61384509
2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 61067934
2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-5-sulfonamide
CID 62845217
4-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]benzoic acid
CID 62843991
2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid
CID 107847683
N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide
CID 113053362
2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 114155512
N-[[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30180963
5-(aminomethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 43155671
2-[5-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 63285665

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid (CID 62844503) is 2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid is COCCN(C)CCNS(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is ADWXVFKJRKLVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S2/c1-14(7-8-19-2)6-5-13-21(17,18)12-4-3-10(20-12)9-11(15)16/h3-4,13H,5-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 336.44 g/mol, XLogP of 0.23, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 62844503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).