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

C18H18N2O2S — CID 110764915

IUPAC2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)C(C)S3)c1
InChIInChI=1S/C18H18N2O2S/c1-11-4-3-5-13(8-11)10-19-18(22)14-6-7-16-15(9-14)20-17(21)12(2)23-16/h3-9,12H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyGXMHOPMNIUACSB-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.36
Rot. Bonds3

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

2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 110764915) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID110764915
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)C(C)S3)c1
InChIInChI=1S/C18H18N2O2S/c1-11-4-3-5-13(8-11)10-19-18(22)14-6-7-16-15(9-14)20-17(21)12(2)23-16/h3-9,12H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyGXMHOPMNIUACSB-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-1,4-benzothiazine-6-carboxamide
CID 42601229
N-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51147666
(2S)-2-methyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7779662
N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 75417289
2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110683036
2-methoxy-5-[[(2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]methyl]benzoic acid
CID 122136455
(2S)-2-methyl-3-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4H-1,4-benzothiazine-6-carboxamide
CID 26446999
2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42889102
2-methyl-3-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-1,4-benzothiazine-6-carboxamide
CID 146579222
N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51155062
2-methyl-3-oxo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-4H-1,4-benzothiazine-6-carboxamide
CID 47076374
1-methyl-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)methyl]urea
CID 115169162

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 110764915) is 2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is Cc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)C(C)S3)c1.
What is the InChIKey of 2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is GXMHOPMNIUACSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-11-4-3-5-13(8-11)10-19-18(22)14-6-7-16-15(9-14)20-17(21)12(2)23-16/h3-9,12H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 110764915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).