2-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide

C19H21N3O5S2 — CID 100724442

IUPAC2-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide
SMILESCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)NCCOC)ccc21
InChIInChI=1S/C19H21N3O5S2/c1-3-22-16-9-8-13(12-17(16)28-19(22)24)29(25,26)21-15-7-5-4-6-14(15)18(23)20-10-11-27-2/h4-9,12,21H,3,10-11H2,1-2H3,(H,20,23)
InChIKeyJPVDURAMGVJSLS-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.26
Rot. Bonds8

About 2-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide

2-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide (PubChem CID 100724442) has the molecular formula C19H21N3O5S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide
PubChem CID100724442
Molecular FormulaC19H21N3O5S2
Molecular Weight435.53 g/mol
Exact Mass435.09
IUPAC Name2-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide
SMILESCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)NCCOC)ccc21
InChIInChI=1S/C19H21N3O5S2/c1-3-22-16-9-8-13(12-17(16)28-19(22)24)29(25,26)21-15-7-5-4-6-14(15)18(23)20-10-11-27-2/h4-9,12,21H,3,10-11H2,1-2H3,(H,20,23)
InChIKeyJPVDURAMGVJSLS-UHFFFAOYSA-N
XLogP2.26
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 100735863
N-butyl-2-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
CID 100719107
N-benzyl-2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
CID 100741003
N-butan-2-yl-2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
CID 133207617
2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-propan-2-ylbenzamide
CID 100740976
2-[[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzothiazol-6-yl]sulfonylamino]-N-propan-2-ylbenzamide
CID 100754854
2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 100742448
N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 31754216
2-(ethylsulfonylamino)-N-(2-methoxyethyl)benzamide
CID 47141588
3-ethyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100725199
ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 31754196
2-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-methylbenzamide
CID 110615646

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide (CID 100724442) is 2-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide is CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)NCCOC)ccc21.
What is the InChIKey of 2-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
The InChIKey is JPVDURAMGVJSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S2/c1-3-22-16-9-8-13(12-17(16)28-19(22)24)29(25,26)21-15-7-5-4-6-14(15)18(23)20-10-11-27-2/h4-9,12,21H,3,10-11H2,1-2H3,(H,20,23).
What are the key properties of 2-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
2-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide has a molecular weight of 435.53 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 100724442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).