2-methyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide

C18H20N2O3S2 — CID 22550200

IUPAC2-methyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
SMILESCc1cccc(CCNS(=O)(=O)c2ccc3c(c2)NC(=O)C(C)S3)c1
InChIInChI=1S/C18H20N2O3S2/c1-12-4-3-5-14(10-12)8-9-19-25(22,23)15-6-7-17-16(11-15)20-18(21)13(2)24-17/h3-7,10-11,13,19H,8-9H2,1-2H3,(H,20,21)
InChIKeyFAPAFJPUTNWHDZ-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.95
Rot. Bonds5

About 2-methyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide

2-methyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide (PubChem CID 22550200) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
PubChem CID22550200
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC Name2-methyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
SMILESCc1cccc(CCNS(=O)(=O)c2ccc3c(c2)NC(=O)C(C)S3)c1
InChIInChI=1S/C18H20N2O3S2/c1-12-4-3-5-14(10-12)8-9-19-25(22,23)15-6-7-17-16(11-15)20-18(21)13(2)24-17/h3-7,10-11,13,19H,8-9H2,1-2H3,(H,20,21)
InChIKeyFAPAFJPUTNWHDZ-UHFFFAOYSA-N
XLogP2.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide with MolForge

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Related Compounds

3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide
CID 110778857
2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzothiazine-6-sulfonamide
CID 110759504
2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 110764915
(3S)-N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188688
2-methyl-6-[2-(sulfanylmethylamino)ethyl]-4H-1,4-benzothiazin-3-one
CID 115228289
6-[2-(aminomethylamino)ethyl]-2-methyl-4H-1,4-benzothiazin-3-one
CID 115226094
(3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide
CID 9186065
2-methyl-4-oxo-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20935213
N-[2-(4-chlorophenyl)ethyl]-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 22516487
N-benzyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550188
N-[(2,5-dimethylphenyl)methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20935713
6-[2-(methoxymethylamino)ethyl]-2-methyl-4H-1,4-benzothiazin-3-one
CID 115258899

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
The IUPAC name of 2-methyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide (CID 22550200) is 2-methyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide.
What is the SMILES notation for 2-methyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
The canonical SMILES for 2-methyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide is Cc1cccc(CCNS(=O)(=O)c2ccc3c(c2)NC(=O)C(C)S3)c1.
What is the InChIKey of 2-methyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
The InChIKey is FAPAFJPUTNWHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c1-12-4-3-5-14(10-12)8-9-19-25(22,23)15-6-7-17-16(11-15)20-18(21)13(2)24-17/h3-7,10-11,13,19H,8-9H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
2-methyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide has a molecular weight of 376.50 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide is sourced from PubChem (CID 22550200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).