N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1λ4,4-benzothiazine-6-carboxamide

C18H18N2O4S — CID 101408520

IUPACN-[(2-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1λ4,4-benzothiazine-6-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc2c(c1)N(C)C(=O)CS2=O
InChIInChI=1S/C18H18N2O4S/c1-20-14-9-12(7-8-16(14)25(23)11-17(20)21)18(22)19-10-13-5-3-4-6-15(13)24-2/h3-9H,10-11H2,1-2H3,(H,19,22)
InChIKeyOBNVKTHOWRBZDD-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.71
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1λ4,4-benzothiazine-6-carboxamide

N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1λ4,4-benzothiazine-6-carboxamide (PubChem CID 101408520) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1λ4,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1λ4,4-benzothiazine-6-carboxamide
PubChem CID101408520
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1λ4,4-benzothiazine-6-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc2c(c1)N(C)C(=O)CS2=O
InChIInChI=1S/C18H18N2O4S/c1-20-14-9-12(7-8-16(14)25(23)11-17(20)21)18(22)19-10-13-5-3-4-6-15(13)24-2/h3-9H,10-11H2,1-2H3,(H,19,22)
InChIKeyOBNVKTHOWRBZDD-UHFFFAOYSA-N
XLogP1.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766493
(11R)-5-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 92662997
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762648
N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 27252855
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-sulfamoylbenzamide
CID 36717267
4-[(3-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4165945
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 103830352
N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
CID 60565957
4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109046451

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1λ4,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1λ4,4-benzothiazine-6-carboxamide (CID 101408520) is N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1λ4,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1λ4,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1λ4,4-benzothiazine-6-carboxamide is COc1ccccc1CNC(=O)c1ccc2c(c1)N(C)C(=O)CS2=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1λ4,4-benzothiazine-6-carboxamide?
The InChIKey is OBNVKTHOWRBZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-20-14-9-12(7-8-16(14)25(23)11-17(20)21)18(22)19-10-13-5-3-4-6-15(13)24-2/h3-9H,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1λ4,4-benzothiazine-6-carboxamide?
N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1λ4,4-benzothiazine-6-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1λ4,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 101408520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).