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

C18H18N2O3S — CID 4876892

IUPACN-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)C(C)S3)cc1
InChIInChI=1S/C18H18N2O3S/c1-11-17(21)20-15-9-13(5-8-16(15)24-11)18(22)19-10-12-3-6-14(23-2)7-4-12/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMHDKVONMFMIGCM-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.06
Rot. Bonds4

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

N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 4876892) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID4876892
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)C(C)S3)cc1
InChIInChI=1S/C18H18N2O3S/c1-11-17(21)20-15-9-13(5-8-16(15)24-11)18(22)19-10-12-3-6-14(23-2)7-4-12/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMHDKVONMFMIGCM-UHFFFAOYSA-N
XLogP3.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 4876892) is N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is COc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)C(C)S3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is MHDKVONMFMIGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-11-17(21)20-15-9-13(5-8-16(15)24-11)18(22)19-10-12-3-6-14(23-2)7-4-12/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 4876892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).