N-(2-methoxyethyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide

C13H17N3O4S2 — CID 3244626

IUPACN-(2-methoxyethyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
SMILESCOCCNC(=O)CNS(=O)(=O)c1ccc2nc(C)sc2c1
InChIInChI=1S/C13H17N3O4S2/c1-9-16-11-4-3-10(7-12(11)21-9)22(18,19)15-8-13(17)14-5-6-20-2/h3-4,7,15H,5-6,8H2,1-2H3,(H,14,17)
InChIKeyPDKULUAJQFAXDV-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.65
Rot. Bonds7

About N-(2-methoxyethyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide

N-(2-methoxyethyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide (PubChem CID 3244626) has the molecular formula C13H17N3O4S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
PubChem CID3244626
Molecular FormulaC13H17N3O4S2
Molecular Weight343.43 g/mol
Exact Mass343.07
IUPAC NameN-(2-methoxyethyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
SMILESCOCCNC(=O)CNS(=O)(=O)c1ccc2nc(C)sc2c1
InChIInChI=1S/C13H17N3O4S2/c1-9-16-11-4-3-10(7-12(11)21-9)22(18,19)15-8-13(17)14-5-6-20-2/h3-4,7,15H,5-6,8H2,1-2H3,(H,14,17)
InChIKeyPDKULUAJQFAXDV-UHFFFAOYSA-N
XLogP0.65
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide (CID 3244626) is N-(2-methoxyethyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide is COCCNC(=O)CNS(=O)(=O)c1ccc2nc(C)sc2c1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide?
The InChIKey is PDKULUAJQFAXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S2/c1-9-16-11-4-3-10(7-12(11)21-9)22(18,19)15-8-13(17)14-5-6-20-2/h3-4,7,15H,5-6,8H2,1-2H3,(H,14,17).
What are the key properties of N-(2-methoxyethyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide?
N-(2-methoxyethyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide has a molecular weight of 343.43 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide is sourced from PubChem (CID 3244626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).