5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonamide

C9H16N2O5S3 — CID 55014443

IUPAC5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonamide
SMILESCOCCS(=O)(=O)NCCc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C9H16N2O5S3/c1-16-6-7-18(12,13)11-5-4-8-2-3-9(17-8)19(10,14)15/h2-3,11H,4-7H2,1H3,(H2,10,14,15)
InChIKeyJYXIIKYANYQCPH-UHFFFAOYSA-N
MW328.44 g/mol
LogP-0.50
Rot. Bonds8

About 5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonamide

5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonamide (PubChem CID 55014443) has the molecular formula C9H16N2O5S3 and a molecular weight of 328.44 g/mol. Its IUPAC name is 5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonamide
PubChem CID55014443
Molecular FormulaC9H16N2O5S3
Molecular Weight328.44 g/mol
Exact Mass328.02
IUPAC Name5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonamide
SMILESCOCCS(=O)(=O)NCCc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C9H16N2O5S3/c1-16-6-7-18(12,13)11-5-4-8-2-3-9(17-8)19(10,14)15/h2-3,11H,4-7H2,1H3,(H2,10,14,15)
InChIKeyJYXIIKYANYQCPH-UHFFFAOYSA-N
XLogP-0.50
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 55014305
5-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]thiophene-2-sulfonamide
CID 61454031
5-[2-(cyclopropylsulfonylamino)ethyl]thiophene-2-sulfonamide
CID 64554947
methyl 2-(5-sulfamoylthiophen-2-yl)acetate
CID 60753569
5-(aminomethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 43155671
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide
CID 43133898
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246441
2,4-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 79884277
N-[2-(4-aminophenyl)ethyl]-3-methoxypropane-1-sulfonamide
CID 63290076
4-hydroxy-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 61128277
3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]but-2-enamide
CID 61128280
2-acetamido-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 61128464

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonamide (CID 55014443) is 5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonamide is COCCS(=O)(=O)NCCc1ccc(S(N)(=O)=O)s1.
What is the InChIKey of 5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonamide?
The InChIKey is JYXIIKYANYQCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5S3/c1-16-6-7-18(12,13)11-5-4-8-2-3-9(17-8)19(10,14)15/h2-3,11H,4-7H2,1H3,(H2,10,14,15).
What are the key properties of 5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonamide?
5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonamide has a molecular weight of 328.44 g/mol, XLogP of -0.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 55014443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).