2-(2-methoxyethoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)ethanesulfonamide

C13H18N2O4S2 — CID 110676125

IUPAC2-(2-methoxyethoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C13H18N2O4S2/c1-10-3-4-11-12(9-10)20-13(14-11)15-21(16,17)8-7-19-6-5-18-2/h3-4,9H,5-8H2,1-2H3,(H,14,15)
InChIKeyUEGDGUADFIQXNT-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.01
Rot. Bonds8

About 2-(2-methoxyethoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)ethanesulfonamide

2-(2-methoxyethoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)ethanesulfonamide (PubChem CID 110676125) has the molecular formula C13H18N2O4S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)ethanesulfonamide
PubChem CID110676125
Molecular FormulaC13H18N2O4S2
Molecular Weight330.43 g/mol
Exact Mass330.07
IUPAC Name2-(2-methoxyethoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C13H18N2O4S2/c1-10-3-4-11-12(9-10)20-13(14-11)15-21(16,17)8-7-19-6-5-18-2/h3-4,9H,5-8H2,1-2H3,(H,14,15)
InChIKeyUEGDGUADFIQXNT-UHFFFAOYSA-N
XLogP2.01
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine
CID 78908863
2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836502
N-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 60640590
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 110757005
N-(1-methoxybutan-2-yl)-6-methyl-1,3-benzothiazol-2-amine
CID 79143101
2-amino-N-(6-methyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbutanamide
CID 43101771
1-(1,2-benzoxazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide
CID 90624530
6-fluoro-N-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-2-amine
CID 79144140
methyl 4-[(6-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 110756987
2-carboxy-4-[(6-methyl-1,3-benzothiazol-2-yl)sulfamoyl]phenolate
CID 54694024
N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 60640584
N-[(6-methyl-1,3-benzothiazol-2-yl)amino]formamide
CID 20696220

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)ethanesulfonamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)ethanesulfonamide (CID 110676125) is 2-(2-methoxyethoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)ethanesulfonamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)ethanesulfonamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)ethanesulfonamide is COCCOCCS(=O)(=O)Nc1nc2ccc(C)cc2s1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)ethanesulfonamide?
The InChIKey is UEGDGUADFIQXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S2/c1-10-3-4-11-12(9-10)20-13(14-11)15-21(16,17)8-7-19-6-5-18-2/h3-4,9H,5-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-methoxyethoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)ethanesulfonamide?
2-(2-methoxyethoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)ethanesulfonamide has a molecular weight of 330.43 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)ethanesulfonamide is sourced from PubChem (CID 110676125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).