N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1lambda4,4-benzothiazine-6-carboxamide

C18H18N2O4S — CID 5309219

IUPACN-[(4-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1lambda4,4-benzothiazine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)N(C)C(=O)CS3=O)cc1
InChIInChI=1S/C18H18N2O4S/c1-20-15-9-13(5-8-16(15)25(23)11-17(20)21)18(22)19-10-12-3-6-14(24-2)7-4-12/h3-9H,10-11H2,1-2H3,(H,19,22)
InChIKeyAQWOKNZRXXHZFI-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.71
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1lambda4,4-benzothiazine-6-carboxamide

N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1lambda4,4-benzothiazine-6-carboxamide (PubChem CID 5309219) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1lambda4,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1lambda4,4-benzothiazine-6-carboxamide
PubChem CID5309219
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1lambda4,4-benzothiazine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)N(C)C(=O)CS3=O)cc1
InChIInChI=1S/C18H18N2O4S/c1-20-15-9-13(5-8-16(15)25(23)11-17(20)21)18(22)19-10-12-3-6-14(24-2)7-4-12/h3-9H,10-11H2,1-2H3,(H,19,22)
InChIKeyAQWOKNZRXXHZFI-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1lambda4,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1lambda4,4-benzothiazine-6-carboxamide (CID 5309219) is N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1lambda4,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1lambda4,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1lambda4,4-benzothiazine-6-carboxamide is COc1ccc(CNC(=O)c2ccc3c(c2)N(C)C(=O)CS3=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1lambda4,4-benzothiazine-6-carboxamide?
The InChIKey is AQWOKNZRXXHZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-20-15-9-13(5-8-16(15)25(23)11-17(20)21)18(22)19-10-12-3-6-14(24-2)7-4-12/h3-9H,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1lambda4,4-benzothiazine-6-carboxamide?
N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1lambda4,4-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-[(4-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1lambda4,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 5309219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).