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

C19H19N3O4S — CID 8001197

IUPACN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)NC(=O)CS3)cc1
InChIInChI=1S/C19H19N3O4S/c1-22(10-17(23)20-13-4-6-14(26-2)7-5-13)19(25)12-3-8-16-15(9-12)21-18(24)11-27-16/h3-9H,10-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyVFPQXXHHUBYVOR-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.45
Rot. Bonds5

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

N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 8001197) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID8001197
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)NC(=O)CS3)cc1
InChIInChI=1S/C19H19N3O4S/c1-22(10-17(23)20-13-4-6-14(26-2)7-5-13)19(25)12-3-8-16-15(9-12)21-18(24)11-27-16/h3-9H,10-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyVFPQXXHHUBYVOR-UHFFFAOYSA-N
XLogP2.45
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 8001197) is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is COc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)NC(=O)CS3)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is VFPQXXHHUBYVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-22(10-17(23)20-13-4-6-14(26-2)7-5-13)19(25)12-3-8-16-15(9-12)21-18(24)11-27-16/h3-9H,10-11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 8001197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).