4-benzyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide

C24H24N2OS — CID 6622734

IUPAC4-benzyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc2c(c1)N(Cc1ccccc1)CCS2
InChIInChI=1S/C24H24N2OS/c27-24(25-14-13-19-7-3-1-4-8-19)21-11-12-23-22(17-21)26(15-16-28-23)18-20-9-5-2-6-10-20/h1-12,17H,13-16,18H2,(H,25,27)
InChIKeyXSRACVLGAPTIIO-UHFFFAOYSA-N
MW388.54 g/mol
LogP4.77
Rot. Bonds6

About 4-benzyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide

4-benzyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide (PubChem CID 6622734) has the molecular formula C24H24N2OS and a molecular weight of 388.54 g/mol. Its IUPAC name is 4-benzyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
PubChem CID6622734
Molecular FormulaC24H24N2OS
Molecular Weight388.54 g/mol
Exact Mass388.16
IUPAC Name4-benzyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc2c(c1)N(Cc1ccccc1)CCS2
InChIInChI=1S/C24H24N2OS/c27-24(25-14-13-19-7-3-1-4-8-19)21-11-12-23-22(17-21)26(15-16-28-23)18-20-9-5-2-6-10-20/h1-12,17H,13-16,18H2,(H,25,27)
InChIKeyXSRACVLGAPTIIO-UHFFFAOYSA-N
XLogP4.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 4-benzyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CID 6622734) is 4-benzyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 4-benzyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 4-benzyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide is O=C(NCCc1ccccc1)c1ccc2c(c1)N(Cc1ccccc1)CCS2.
What is the InChIKey of 4-benzyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The InChIKey is XSRACVLGAPTIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2OS/c27-24(25-14-13-19-7-3-1-4-8-19)21-11-12-23-22(17-21)26(15-16-28-23)18-20-9-5-2-6-10-20/h1-12,17H,13-16,18H2,(H,25,27).
What are the key properties of 4-benzyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
4-benzyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 6622734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).