4-acetyl-N-(2-methoxyethyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-7-sulfonamide

C14H20N2O4S2 — CID 126458884

IUPAC4-acetyl-N-(2-methoxyethyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-7-sulfonamide
SMILESCOCCNS(=O)(=O)c1ccc2c(c1)SC(C)CN2C(C)=O
InChIInChI=1S/C14H20N2O4S2/c1-10-9-16(11(2)17)13-5-4-12(8-14(13)21-10)22(18,19)15-6-7-20-3/h4-5,8,10,15H,6-7,9H2,1-3H3
InChIKeyXEDSCXFWHBGATH-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.46
Rot. Bonds5

About 4-acetyl-N-(2-methoxyethyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-7-sulfonamide

4-acetyl-N-(2-methoxyethyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-7-sulfonamide (PubChem CID 126458884) has the molecular formula C14H20N2O4S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-acetyl-N-(2-methoxyethyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-7-sulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(2-methoxyethyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-7-sulfonamide
PubChem CID126458884
Molecular FormulaC14H20N2O4S2
Molecular Weight344.46 g/mol
Exact Mass344.09
IUPAC Name4-acetyl-N-(2-methoxyethyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-7-sulfonamide
SMILESCOCCNS(=O)(=O)c1ccc2c(c1)SC(C)CN2C(C)=O
InChIInChI=1S/C14H20N2O4S2/c1-10-9-16(11(2)17)13-5-4-12(8-14(13)21-10)22(18,19)15-6-7-20-3/h4-5,8,10,15H,6-7,9H2,1-3H3
InChIKeyXEDSCXFWHBGATH-UHFFFAOYSA-N
XLogP1.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-acetyl-N-(2-methoxyethyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-7-sulfonamide?
The IUPAC name of 4-acetyl-N-(2-methoxyethyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-7-sulfonamide (CID 126458884) is 4-acetyl-N-(2-methoxyethyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-7-sulfonamide.
What is the SMILES notation for 4-acetyl-N-(2-methoxyethyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-7-sulfonamide?
The canonical SMILES for 4-acetyl-N-(2-methoxyethyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-7-sulfonamide is COCCNS(=O)(=O)c1ccc2c(c1)SC(C)CN2C(C)=O.
What is the InChIKey of 4-acetyl-N-(2-methoxyethyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-7-sulfonamide?
The InChIKey is XEDSCXFWHBGATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S2/c1-10-9-16(11(2)17)13-5-4-12(8-14(13)21-10)22(18,19)15-6-7-20-3/h4-5,8,10,15H,6-7,9H2,1-3H3.
What are the key properties of 4-acetyl-N-(2-methoxyethyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-7-sulfonamide?
4-acetyl-N-(2-methoxyethyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-7-sulfonamide has a molecular weight of 344.46 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-methoxyethyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-7-sulfonamide is sourced from PubChem (CID 126458884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).