4-benzyl-N-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide

C22H25N3O3S — CID 3238009

IUPAC4-benzyl-N-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2
InChIInChI=1S/C22H25N3O3S/c26-21-16-29-20-7-6-18(22(27)23-8-9-24-10-12-28-13-11-24)14-19(20)25(21)15-17-4-2-1-3-5-17/h1-7,14H,8-13,15-16H2,(H,23,27)
InChIKeyRWXAHDBRVBGNHV-UHFFFAOYSA-N
MW411.53 g/mol
LogP2.39
Rot. Bonds6

About 4-benzyl-N-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide

4-benzyl-N-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide (PubChem CID 3238009) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 4-benzyl-N-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
PubChem CID3238009
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name4-benzyl-N-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2
InChIInChI=1S/C22H25N3O3S/c26-21-16-29-20-7-6-18(22(27)23-8-9-24-10-12-28-13-11-24)14-19(20)25(21)15-17-4-2-1-3-5-17/h1-7,14H,8-13,15-16H2,(H,23,27)
InChIKeyRWXAHDBRVBGNHV-UHFFFAOYSA-N
XLogP2.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 4-benzyl-N-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide (CID 3238009) is 4-benzyl-N-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 4-benzyl-N-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 4-benzyl-N-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide is O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2.
What is the InChIKey of 4-benzyl-N-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide?
The InChIKey is RWXAHDBRVBGNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c26-21-16-29-20-7-6-18(22(27)23-8-9-24-10-12-28-13-11-24)14-19(20)25(21)15-17-4-2-1-3-5-17/h1-7,14H,8-13,15-16H2,(H,23,27).
What are the key properties of 4-benzyl-N-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide?
4-benzyl-N-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide has a molecular weight of 411.53 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 3238009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).