N-(2-methoxyethyl)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]propanamide

C15H20N2O5S2 — CID 126459313

IUPACN-(2-methoxyethyl)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]propanamide
SMILESCOCCNC(=O)CCS(=O)(=O)c1ccc2c(c1)SC(C)C(=O)N2
InChIInChI=1S/C15H20N2O5S2/c1-10-15(19)17-12-4-3-11(9-13(12)23-10)24(20,21)8-5-14(18)16-6-7-22-2/h3-4,9-10H,5-8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyIWOHBSBERCCTST-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.05
Rot. Bonds7

About N-(2-methoxyethyl)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]propanamide

N-(2-methoxyethyl)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]propanamide (PubChem CID 126459313) has the molecular formula C15H20N2O5S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]propanamide
PubChem CID126459313
Molecular FormulaC15H20N2O5S2
Molecular Weight372.47 g/mol
Exact Mass372.08
IUPAC NameN-(2-methoxyethyl)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]propanamide
SMILESCOCCNC(=O)CCS(=O)(=O)c1ccc2c(c1)SC(C)C(=O)N2
InChIInChI=1S/C15H20N2O5S2/c1-10-15(19)17-12-4-3-11(9-13(12)23-10)24(20,21)8-5-14(18)16-6-7-22-2/h3-4,9-10H,5-8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyIWOHBSBERCCTST-UHFFFAOYSA-N
XLogP1.05
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.05
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)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]propanamide (CID 126459313) is N-(2-methoxyethyl)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]propanamide is COCCNC(=O)CCS(=O)(=O)c1ccc2c(c1)SC(C)C(=O)N2.
What is the InChIKey of N-(2-methoxyethyl)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]propanamide?
The InChIKey is IWOHBSBERCCTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S2/c1-10-15(19)17-12-4-3-11(9-13(12)23-10)24(20,21)8-5-14(18)16-6-7-22-2/h3-4,9-10H,5-8H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-methoxyethyl)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]propanamide?
N-(2-methoxyethyl)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]propanamide has a molecular weight of 372.47 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]propanamide is sourced from PubChem (CID 126459313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).