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

C24H24N2OS — CID 20876233

IUPAC4-benzyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)N(Cc1ccccc1)CCS2)c1ccccc1
InChIInChI=1S/C24H24N2OS/c1-18(20-10-6-3-7-11-20)25-24(27)21-12-13-23-22(16-21)26(14-15-28-23)17-19-8-4-2-5-9-19/h2-13,16,18H,14-15,17H2,1H3,(H,25,27)
InChIKeyLFUCKUNRGKIGLC-UHFFFAOYSA-N
MW388.54 g/mol
LogP5.29
Rot. Bonds5

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

4-benzyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide (PubChem CID 20876233) has the molecular formula C24H24N2OS and a molecular weight of 388.54 g/mol. Its IUPAC name is 4-benzyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
PubChem CID20876233
Molecular FormulaC24H24N2OS
Molecular Weight388.54 g/mol
Exact Mass388.16
IUPAC Name4-benzyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)N(Cc1ccccc1)CCS2)c1ccccc1
InChIInChI=1S/C24H24N2OS/c1-18(20-10-6-3-7-11-20)25-24(27)21-12-13-23-22(16-21)26(14-15-28-23)17-19-8-4-2-5-9-19/h2-13,16,18H,14-15,17H2,1H3,(H,25,27)
InChIKeyLFUCKUNRGKIGLC-UHFFFAOYSA-N
XLogP5.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 6620033
4-benzyl-N-cyclopentyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876228
(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)-(4-methylpiperazin-1-yl)methanone
CID 20876259
4-[(4-chlorophenyl)methyl]-3-oxo-N-(1-phenylethyl)-1,4-benzothiazine-6-carboxamide
CID 4160206
4-[(4-fluorophenyl)methyl]-N-(3-methylbutyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876319
4-benzyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 142502397
(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 6625003
N-(2-chlorophenyl)-4-ethyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 46258738
N-(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)formamide
CID 156827909
3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide
CID 90761877
4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(1-phenylethyl)benzamide
CID 53135564
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 4-benzyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CID 20876233) is 4-benzyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 4-benzyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 4-benzyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide is CC(NC(=O)c1ccc2c(c1)N(Cc1ccccc1)CCS2)c1ccccc1.
What is the InChIKey of 4-benzyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The InChIKey is LFUCKUNRGKIGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2OS/c1-18(20-10-6-3-7-11-20)25-24(27)21-12-13-23-22(16-21)26(14-15-28-23)17-19-8-4-2-5-9-19/h2-13,16,18H,14-15,17H2,1H3,(H,25,27).
What are the key properties of 4-benzyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
4-benzyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 20876233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).